The performance of trained neural networks is robust to harsh levels of pruning. Coupled with the ever-growing size of deep learning models, this observation has motivated extensive research on learning sparse models. In this work, we focus on the task of controlling the level of sparsity when performing sparse learning. Existing methods based on sparsity-inducing penalties involve expensive trial-and-error tuning of the penalty factor, thus lacking direct control of the resulting model sparsity. In response, we adopt a constrained formulation: using the gate mechanism proposed by Louizos et al. (2018), we formulate a constrained optimization problem where sparsification is guided by the training objective and the desired sparsity target in an end-to-end fashion. Experiments on CIFAR-{10, 100}, TinyImageNet, and ImageNet using WideResNet and ResNet{18, 50} models validate the effectiveness of our proposal and demonstrate that we can reliably achieve pre-determined sparsity targets without compromising on predictive performance.

Inverse problems are paramount in Science and Engineering. In this paper, we consider the setup of Statistical Inverse Problem (SIP) and demonstrate how Stochastic Gradient Descent (SGD) algorithms can be used in the linear SIP setting. We provide consistency and finite sample bounds for the excess risk. We also propose a modification for the SGD algorithm where we leverage machine learning methods to smooth the stochastic gradients and improve empirical performance. We exemplify the algorithm in a setting of great interest nowadays: the Functional Linear Regression model. In this case we consider a synthetic data example and examples with a real data classification problem.

We study the combinatorial assignment domain, which includes combinatorial auctions and course allocation. The main challenge in this domain is that the bundle space grows exponentially in the number of items. To address this, several papers have recently proposed machine learning-based preference elicitation algorithms that aim to elicit only the most important information from agents. However, the main shortcoming of this prior work is that it does not model a mechanism's uncertainty over values for not yet elicited bundles. In this paper, we address this shortcoming by presenting a Bayesian Optimization-based Combinatorial Assignment (BOCA) mechanism. Our key technical contribution is to integrate a method for capturing model uncertainty into an iterative combinatorial auction mechanism. Concretely, we design a new method for estimating an upper uncertainty bound that can be used to define an acquisition function to determine the next query to the agents. This enables the mechanism to properly explore (and not just exploit) the bundle space during its preference elicitation phase. We run computational experiments in several spectrum auction domains to evaluate BOCA's performance. Our results show that BOCA achieves higher allocative efficiency than state-of-the-art approaches.

Transformers are widely used in natural language processing, where they consistently achieve state-of-the-art performance. This is mainly due to their attention-based architecture, which allows them to model rich linguistic relations between (sub)words. However, transformers are difficult to interpret. Being able to provide reasoning for its decisions is an important property for a model in domains where human lives are affected. With transformers finding wide use in such fields, the need for interpretability techniques tailored to them arises. We propose a new technique that selects the most faithful attention-based interpretation among the several ones that can be obtained by combining different head, layer and matrix operations. In addition, two variations are introduced towards (i) reducing the computational complexity, thus being faster and friendlier to the environment, and (ii) enhancing the performance in multi-label data. We further propose a new faithfulness metric that is more suitable for transformer models and exhibits high correlation with the area under the precision-recall curve based on ground truth rationales. We validate the utility of our contributions with a series of quantitative and qualitative experiments on seven datasets.

While large language models (LLMs) have demonstrated impressive capabilities across tasks in language understanding and interactive decision making, their abilities for reasoning (e.g. chain-of-thought prompting) and acting (e.g. action plan generation) have primarily been studied as separate topics. In this paper, we explore the use of LLMs to generate both reasoning traces and task-specific actions in an interleaved manner, allowing for greater synergy between the two: reasoning traces help the model induce, track, and update action plans as well as handle exceptions, while actions allow it to interface with external sources, such as knowledge bases or environments, to gather additional information. We apply our approach, named ReAct, to a diverse set of language and decision making tasks and demonstrate its effectiveness over state-of-the-art baselines, as well as improved human interpretability and trustworthiness over methods without reasoning or acting components. Concretely, on question answering (HotpotQA) and fact verification (Fever), ReAct overcomes issues of hallucination and error propagation prevalent in chain-of-thought reasoning by interacting with a simple Wikipedia API, and generates human-like task-solving trajectories that are more interpretable than baselines without reasoning traces. On two interactive decision making benchmarks (ALFWorld and WebShop), ReAct outperforms imitation and reinforcement learning methods by an absolute success rate of 34% and 10% respectively, while being prompted with only one or two in-context examples. Project site with code: https://react-lm.github.io

Most visual scene understanding tasks in the field of computer vision involve identification of the objects present in the scene. Image regions like hideouts, turns, & other obscured regions of the scene also contain crucial information, for specific surveillance tasks. Task proposed in this paper involves the design of an intelligent visual aid for identification of such locations in an image, which has either the potential to create an imminent threat from an adversary or appear as the target zones needing further investigation. Covert places (CGL) for hiding behind an occluding object are concealed 3D locations, not detectable from the viewpoint (camera). Hence this involves delineating specific image regions around the projections of outer boundary of the occluding objects, as places to be accessed around the potential hideouts. CGL detection finds applications in military counter-insurgency operations, surveillance with path planning for an exploratory robot. Given an RGB image, the goal is to identify all CGLs in the 2D scene. Identification of such regions would require knowledge about the 3D boundaries of obscuring items (pillars, furniture), their spatial location with respect to the neighboring regions of the scene. We propose this as a novel task, termed Covert Geo-Location (CGL) Detection. Classification of any region of an image as a CGL (as boundary sub-segments of an occluding object that conceals the hideout) requires examining the 3D relation between boundaries of occluding objects and their neighborhoods & surroundings. Our method successfully extracts relevant depth features from a single RGB image and quantitatively yields significant improvement over existing object detection and segmentation models adapted and trained for CGL detection. We also introduce a novel hand-annotated CGL detection dataset containing 1.5K real-world images for experimentation.

In this paper, a new methodology is proposed that allows for the low-complexity development of neural network (NN) based equalizers for the mitigation of impairments in high-speed coherent optical transmission systems. In this work, we provide a comprehensive description and comparison of various deep model compression approaches that have been applied to feed-forward and recurrent NN designs. Additionally, we evaluate the influence these strategies have on the performance of each NN equalizer. Quantization, weight clustering, pruning, and other cutting-edge strategies for model compression are taken into consideration. In this work, we propose and evaluate a Bayesian optimization-assisted compression, in which the hyperparameters of the compression are chosen to simultaneously reduce complexity and improve performance. In conclusion, the trade-off between the complexity of each compression approach and its performance is evaluated by utilizing both simulated and experimental data in order to complete the analysis. By utilizing optimal compression approaches, we show that it is possible to design an NN-based equalizer that is simpler to implement and has better performance than the conventional digital back-propagation (DBP) equalizer with only one step per span. This is accomplished by reducing the number of multipliers used in the NN equalizer after applying the weighted clustering and pruning algorithms. Furthermore, we demonstrate that an equalizer based on NN can also achieve superior performance while still maintaining the same degree of complexity as the full electronic chromatic dispersion compensation block. We conclude our analysis by highlighting open questions and existing challenges, as well as possible future research directions.

The optimal liability framework for AI systems remains an unsolved problem across the globe. In a much-anticipated move, the European Commission advanced two proposals outlining the European approach to AI liability in September 2022: a novel AI Liability Directive and a revision of the Product Liability Directive. They constitute the final, and much-anticipated, cornerstone of AI regulation in the EU. Crucially, the liability proposals and the EU AI Act are inherently intertwined: the latter does not contain any individual rights of affected persons, and the former lack specific, substantive rules on AI development and deployment. Taken together, these acts may well trigger a Brussels effect in AI regulation, with significant consequences for the US and other countries. This paper makes three novel contributions. First, it examines in detail the Commission proposals and shows that, while making steps in the right direction, they ultimately represent a half-hearted approach: if enacted as foreseen, AI liability in the EU will primarily rest on disclosure of evidence mechanisms and a set of narrowly defined presumptions concerning fault, defectiveness and causality. Hence, second, the article suggests amendments, which are collected in an Annex at the end of the paper. Third, based on an analysis of the key risks AI poses, the final part of the paper maps out a road for the future of AI liability and regulation, in the EU and beyond. This includes: a comprehensive framework for AI liability; provisions to support innovation; an extension to non-discrimination/algorithmic fairness, as well as explainable AI; and sustainability. I propose to jump-start sustainable AI regulation via sustainability impact assessments in the AI Act and sustainable design defects in the liability regime. In this way, the law may help spur not only fair AI and XAI, but potentially also sustainable AI (SAI).

Recent years have seen a surge in research on dynamic graph representation learning, which aims to model temporal graphs that are dynamic and evolving constantly over time. However, current work typically models graph dynamics with recurrent neural networks (RNNs), making them suffer seriously from computation and memory overheads on large temporal graphs. So far, scalability of dynamic graph representation learning on large temporal graphs remains one of the major challenges. In this paper, we present a scalable framework, namely SpikeNet, to efficiently capture the temporal and structural patterns of temporal graphs. We explore a new direction in that we can capture the evolving dynamics of temporal graphs with spiking neural networks (SNNs) instead of RNNs. As a low-power alternative to RNNs, SNNs explicitly model graph dynamics as spike trains of neuron populations and enable spike-based propagation in an efficient way. Experiments on three large real-world temporal graph datasets demonstrate that SpikeNet outperforms strong baselines on the temporal node classification task with lower computational costs. Particularly, SpikeNet generalizes to a large temporal graph (2.7M nodes and 13.9M edges) with significantly fewer parameters and computation overheads.

Score-based generative modelling (SGM) has proven to be a very effective method for modelling densities on finite-dimensional spaces. In this work we propose to extend this methodology to learn generative models over functional spaces. To do so, we represent functional data in spectral space to dissociate the stochastic part of the processes from their space-time part. Using dimensionality reduction techniques we then sample from their stochastic component using finite dimensional SGM. We demonstrate our method's effectiveness for modelling various multimodal datasets.

In this paper, we propose a new method for determining shared features of and measuring the distance between data sets or point clouds. Our approach uses the joint factorization of two data matrices $X_1,X_2$ into non-negative matrices $X_1 = AS_1, X_2 = AS_2$ to derive a similarity measure that determines how well the shared basis $A$ approximates $X_1, X_2$. We also propose a point cloud distance measure built upon this method and the learned factorization. Our method reveals structural differences in both image and text data. Potential applications include classification, detecting plagiarism or other manipulation, data denoising, and transfer learning.

Combining multi-spectral satellite data and machine learning has been suggested as a method for monitoring plastic pollutants in the ocean environment. Recent studies have made theoretical progress regarding the identification of marine plastic via machine learning. However, no study has assessed the application of these methods for mapping and monitoring marine-plastic density. As such, this paper comprised of three main components: (1) the development of a machine learning model, (2) the construction of the MAP-Mapper, an automated tool for mapping marine-plastic density, and finally (3) an evaluation of the whole system for out-of-distribution test locations. The findings from this paper leverage the fact that machine learning models need to be high-precision to reduce the impact of false positives on results. The developed MAP-Mapper architectures provide users choices to reach high-precision ($\textit{abbv.}$ -HP) or optimum precision-recall ($\textit{abbv.}$ -Opt) values in terms of the training/test data set. Our MAP-Mapper-HP model greatly increased the precision of plastic detection to 95\%, whilst MAP-Mapper-Opt reaches precision-recall pair of 87\%-88\%. The MAP-Mapper contributes to the literature with the first tool to exploit advanced deep/machine learning and multi-spectral imagery to map marine-plastic density in automated software. The proposed data pipeline has taken a novel approach to map plastic density in ocean regions. As such, this enables an initial assessment of the challenges and opportunities of this method to help guide future work and scientific study.

Lifelong learners must recognize concept vocabularies that evolve over time. A common yet underexplored scenario is learning with class labels over time that refine/expand old classes. For example, humans learn to recognize ${\tt dog}$ before dog breeds. In practical settings, dataset $\textit{versioning}$ often introduces refinement to ontologies, such as autonomous vehicle benchmarks that refine a previous ${\tt vehicle}$ class into ${\tt school-bus}$ as autonomous operations expand to new cities. This paper formalizes a protocol for studying the problem of $\textit{Learning with Evolving Class Ontology}$ (LECO). LECO requires learning classifiers in distinct time periods (TPs); each TP introduces a new ontology of "fine" labels that refines old ontologies of "coarse" labels (e.g., dog breeds that refine the previous ${\tt dog}$). LECO explores such questions as whether to annotate new data or relabel the old, how to leverage coarse labels, and whether to finetune the previous TP's model or train from scratch. To answer these questions, we leverage insights from related problems such as class-incremental learning. We validate them under the LECO protocol through the lens of image classification (CIFAR and iNaturalist) and semantic segmentation (Mapillary). Our experiments lead to surprising conclusions; while the current status quo is to relabel existing datasets with new ontologies (such as COCO-to-LVIS or Mapillary1.2-to-2.0), LECO demonstrates that a far better strategy is to annotate $\textit{new}$ data with the new ontology. However, this produces an aggregate dataset with inconsistent old-vs-new labels, complicating learning. To address this challenge, we adopt methods from semi-supervised and partial-label learning. Such strategies can surprisingly be made near-optimal, approaching an "oracle" that learns on the aggregate dataset exhaustively labeled with the newest ontology.

Geologic cores are rock samples that are extracted from deep under the ground during the well drilling process. They are used for petroleum reservoirs' performance characterization. Traditionally, physical studies of cores are carried out by the means of manual time-consuming experiments. With the development of deep learning, scientists actively started working on developing machine-learning-based approaches to identify physical properties without any manual experiments. Several previous works used machine learning to determine the porosity and permeability of the rocks, but either method was inaccurate or computationally expensive. We are proposing to use self-supervised pretraining of the very small CNN-transformer-based model to predict the physical properties of the rocks with high accuracy in a time-efficient manner. We show that this technique prevents overfitting even for extremely small datasets. Github: https://github.com/Shahbozjon/porosity-and-permeability-prediction

Ship roll motion in high sea state has large amplitude and nonlinear dynamics, and its prediction is significant for the operability, safety and survivability. This paper presents a novel data-driven methodology to provide multi-step prediction of the ship roll motion in high sea states. A hybrid neural network is proposed that combines long short-term memory (LSTM) and convolutional neural network (CNN) in parallel. The motivation is to extract the nonlinear dynamics characteristics and the hydrodynamic memory information through the advantage of CNN and LSTM, respectively. For the feature selection, the time histories of motion states and wave heights are selected to involve sufficient information. Taken a scaled KCS as the study object, the ship motions in sea state 7 irregular long crested waves are simulated and used for the validation. The results show that at least one period of roll motion can be accurately predicted by using the proposed method. Compared with the single LSTM and CNN method, the proposed method has better performance in the prediction of the amplitude of roll angles. Besides, the comparison results also demonstrate that selecting motion states and wave heights as feature space improves the prediction accuracy, verifying the effectiveness of the proposed method.

This paper presents a methodology for combining programming and mathematics to optimize elevator wait times. Based on simulated user data generated according to the canonical three-peak model of elevator traffic, we first develop a naive model from an intuitive understanding of the logic behind elevators. We take into consideration a general array of features including capacity, acceleration, and maximum wait time thresholds to adequately model realistic circumstances. Using the same evaluation framework, we proceed to develop a Deep Q Learning model in an attempt to match the hard-coded naive approach for elevator control. Throughout the majority of the paper, we work under a Markov Decision Process (MDP) schema, but later explore how the assumption fails to characterize the highly stochastic overall Elevator Group Control System (EGCS).

This paper studies the problem of graph-level clustering, which is a novel yet challenging task. This problem is critical in a variety of real-world applications such as protein clustering and genome analysis in bioinformatics. Recent years have witnessed the success of deep clustering coupled with graph neural networks (GNNs). However, existing methods focus on clustering among nodes given a single graph, while exploring clustering on multiple graphs is still under-explored. In this paper, we propose a general graph-level clustering framework named Graph-Level Contrastive Clustering (GLCC) given multiple graphs. Specifically, GLCC first constructs an adaptive affinity graph to explore instance- and cluster-level contrastive learning (CL). Instance-level CL leverages graph Laplacian based contrastive loss to learn clustering-friendly representations while cluster-level CL captures discriminative cluster representations incorporating neighbor information of each sample. Moreover, we utilize neighbor-aware pseudo-labels to reward the optimization of representation learning. The two steps can be alternatively trained to collaborate and benefit each other. Experiments on a range of well-known datasets demonstrate the superiority of our proposed GLCC over competitive baselines.

Downsampling produces coarsened, multi-resolution representations of data and it is used, for example, to produce lossy compression and visualization of large images, reduce computational costs, and boost deep neural representation learning. Unfortunately, due to their lack of a regular structure, there is still no consensus on how downsampling should apply to graphs and linked data. Indeed reductions in graph data are still needed for the goals described above, but reduction mechanisms do not have the same focus on preserving topological structures and properties, while allowing for resolution-tuning, as is the case in regular data downsampling. In this paper, we take a step in this direction, introducing a unifying interpretation of downsampling in regular and graph data. In particular, we define a graph coarsening mechanism which is a graph-structured counterpart of controllable equispaced coarsening mechanisms in regular data. We prove theoretical guarantees for distortion bounds on path lengths, as well as the ability to preserve key topological properties in the coarsened graphs. We leverage these concepts to define a graph pooling mechanism that we empirically assess in graph classification tasks, providing a greedy algorithm that allows efficient parallel implementation on GPUs, and showing that it compares favorably against pooling methods in literature.

The objective functions used in spectral clustering are usually composed of two terms: i) a term that minimizes the local quadratic variation of the cluster assignments on the graph and; ii) a term that balances the clustering partition and helps avoiding degenerate solutions. This paper shows that a graph neural network, equipped with suitable message passing layers, can generate good cluster assignments by optimizing only a balancing term. Results on attributed graph datasets show the effectiveness of the proposed approach in terms of clustering performance and computation time.

Value iteration (VI) is a foundational dynamic programming method, important for learning and planning in optimal control and reinforcement learning. VI proceeds in batches, where the update to the value of each state must be completed before the next batch of updates can begin. Completing a single batch is prohibitively expensive if the state space is large, rendering VI impractical for many applications. Asynchronous VI helps to address the large state space problem by updating one state at a time, in-place and in an arbitrary order. However, Asynchronous VI still requires a maximization over the entire action space, making it impractical for domains with large action space. To address this issue, we propose doubly-asynchronous value iteration (DAVI), a new algorithm that generalizes the idea of asynchrony from states to states and actions. More concretely, DAVI maximizes over a sampled subset of actions that can be of any user-defined size. This simple approach of using sampling to reduce computation maintains similarly appealing theoretical properties to VI without the need to wait for a full sweep through the entire action space in each update. In this paper, we show DAVI converges to the optimal value function with probability one, converges at a near-geometric rate with probability 1-delta, and returns a near-optimal policy in computation time that nearly matches a previously established bound for VI. We also empirically demonstrate DAVI's effectiveness in several experiments.

The framework of optimal transport has been leveraged to extend the notion of rank to the multivariate setting while preserving desirable properties of the resulting goodness-of-fit (GoF) statistics. In particular, the rank energy (RE) and rank maximum mean discrepancy (RMMD) are distribution-free under the null, exhibit high power in statistical testing, and are robust to outliers. In this paper, we point to and alleviate some of the practical shortcomings of these proposed GoF statistics, namely their high computational cost, high statistical sample complexity, and lack of differentiability with respect to the data. We show that all these practically important issues are addressed by considering entropy-regularized optimal transport maps in place of the rank map, which we refer to as the soft rank. We consequently propose two new statistics, the soft rank energy (sRE) and soft rank maximum mean discrepancy (sRMMD), which exhibit several desirable properties. Given $n$ sample data points, we provide non-asymptotic convergence rates for the sample estimate of the entropic transport map to its population version that are essentially of the order $n^{-1/2}$ when the starting measure is subgaussian and the target measure has compact support. This result is novel compared to existing results which achieve a rate of $n^{-1}$ but crucially rely on both measures having compact support. We leverage this result to demonstrate fast convergence of sample sRE and sRMMD to their population version making them useful for high-dimensional GoF testing. Our statistics are differentiable and amenable to popular machine learning frameworks that rely on gradient methods. We leverage these properties towards showcasing the utility of the proposed statistics for generative modeling on two important problems: image generation and generating valid knockoffs for controlled feature selection.

Recent self-supervised advances in medical computer vision exploit global and local anatomical self-similarity for pretraining prior to downstream tasks such as segmentation. However, current methods assume i.i.d. image acquisition, which is invalid in clinical study designs where follow-up longitudinal scans track subject-specific temporal changes. Further, existing self-supervised methods for medically-relevant image-to-image architectures exploit only spatial or temporal self-similarity and only do so via a loss applied at a single image-scale, with naive multi-scale spatiotemporal extensions collapsing to degenerate solutions. To these ends, this paper makes two contributions: (1) It presents a local and multi-scale spatiotemporal representation learning method for image-to-image architectures trained on longitudinal images. It exploits the spatiotemporal self-similarity of learned multi-scale intra-subject features for pretraining and develops several feature-wise regularizations that avoid collapsed identity representations; (2) During finetuning, it proposes a surprisingly simple self-supervised segmentation consistency regularization to exploit intra-subject correlation. Benchmarked in the one-shot segmentation setting, the proposed framework outperforms both well-tuned randomly-initialized baselines and current self-supervised techniques designed for both i.i.d. and longitudinal datasets. These improvements are demonstrated across both longitudinal neurodegenerative adult MRI and developing infant brain MRI and yield both higher performance and longitudinal consistency.

A growing body of research in continual learning focuses on the catastrophic forgetting problem. While many attempts have been made to alleviate this problem, the majority of the methods assume a single model in the continual learning setup. In this work, we question this assumption and show that employing ensemble models can be a simple yet effective method to improve continual performance. However, ensembles' training and inference costs can increase significantly as the number of models grows. Motivated by this limitation, we study different ensemble models to understand their benefits and drawbacks in continual learning scenarios. Finally, to overcome the high compute cost of ensembles, we leverage recent advances in neural network subspace to propose a computationally cheap algorithm with similar runtime to a single model yet enjoying the performance benefits of ensembles.

Knowledge distillation facilitates the training of a compact student network by using a deep teacher one. While this has achieved great success in many tasks, it remains completely unstudied for image-based 6D object pose estimation. In this work, we introduce the first knowledge distillation method driven by the 6D pose estimation task. To this end, we observe that most modern 6D pose estimation frameworks output local predictions, such as sparse 2D keypoints or dense representations, and that the compact student network typically struggles to predict such local quantities precisely. Therefore, instead of imposing prediction-to-prediction supervision from the teacher to the student, we propose to distill the teacher's \emph{distribution} of local predictions into the student network, facilitating its training. Our experiments on several benchmarks show that our distillation method yields state-of-the-art results with different compact student models and for both keypoint-based and dense prediction-based architectures.

Hitherto statistical type inference systems rely thoroughly on supervised learning approaches, which require laborious manual effort to collect and label large amounts of data. Most Turing-complete imperative languages share similar control- and data-flow structures, which make it possible to transfer knowledge learned from one language to another. In this paper, we propose a cross-lingual transfer learning framework, PLATO, for statistical type inference, which allows us to leverage prior knowledge learned from the labeled dataset of one language and transfer it to the others, e.g., Python to JavaScript, Java to JavaScript, etc. PLATO is powered by a novel kernelized attention mechanism to constrain the attention scope of the backbone Transformer model such that model is forced to base its prediction on commonly shared features among languages. In addition, we propose the syntax enhancement that augments the learning on the feature overlap among language domains. Furthermore, PLATO can also be used to improve the performance of the conventional supervised-based type inference by introducing cross-language augmentation, which enables the model to learn more general features across multiple languages. We evaluated PLATO under two settings: 1) under the cross-domain scenario that the target language data is not labeled or labeled partially, the results show that PLATO outperforms the state-of-the-art domain transfer techniques by a large margin, e.g., it improves the Python to TypeScript baseline by +14.6%@EM, +18.6%@weighted-F1, and 2) under the conventional monolingual supervised scenario, PLATO improves the Python baseline by +4.10%@EM, +1.90%@weighted-F1 with the introduction of the cross-lingual augmentation.

In the training of over-parameterized model functions via gradient descent, sometimes the parameters do not change significantly and remain close to their initial values. This phenomenon is called lazy training, and motivates consideration of the linear approximation of the model function around the initial parameters. In the lazy regime, this linear approximation imitates the behavior of the parameterized function whose associated kernel, called the tangent kernel, specifies the training performance of the model. Lazy training is known to occur in the case of (classical) neural networks with large widths. In this paper, we show that the training of geometrically local parameterized quantum circuits enters the lazy regime for large numbers of qubits. More precisely, we prove bounds on the rate of changes of the parameters of such a geometrically local parameterized quantum circuit in the training process, and on the precision of the linear approximation of the associated quantum model function; both of these bounds tend to zero as the number of qubits grows. We support our analytic results with numerical simulations.

In visual navigation, one powerful paradigm is to predict actions from observations directly. Training such an end-to-end system allows representations that are useful for downstream tasks to emerge automatically. However, the lack of inductive bias makes this system data-hungry. We hypothesize a sufficient representation of the current view and the goal view for a navigation policy can be learned by predicting the location and size of a crop of the current view that corresponds to the goal. We further show that training such random crop prediction in a self-supervised fashion purely on synthetic noise images transfers well to natural home images. The learned representation can then be bootstrapped to learn a navigation policy efficiently with little interaction data. The code is available at https://yanweiw.github.io/noise2ptz/

In this work, we consider the task of improving the accuracy of dynamic models for model predictive control (MPC) in an online setting. Although prediction models can be learned and applied to model-based controllers, these models are often learned offline. In this offline setting, training data is first collected and a prediction model is learned through an elaborated training procedure. However, since the model is learned offline, it does not adapt to disturbances or model errors observed during deployment. To improve the adaptiveness of the model and the controller, we propose an online dynamics learning framework that continually improves the accuracy of the dynamic model during deployment. We adopt knowledge-based neural ordinary differential equations (KNODE) as the dynamic models, and use techniques inspired by transfer learning to continually improve the model accuracy. We demonstrate the efficacy of our framework with a quadrotor, and verify the framework in both simulations and physical experiments. Results show that our approach can account for disturbances that are possibly time-varying, while maintaining good trajectory tracking performance.

Neural networks with random weights appear in a variety of machine learning applications, most prominently as the initialization of many deep learning algorithms and as a computationally cheap alternative to fully learned neural networks. In the present article, we enhance the theoretical understanding of random neural networks by addressing the following data separation problem: under what conditions can a random neural network make two classes $\mathcal{X}^-, \mathcal{X}^+ \subset \mathbb{R}^d$ (with positive distance) linearly separable? We show that a sufficiently large two-layer ReLU-network with standard Gaussian weights and uniformly distributed biases can solve this problem with high probability. Crucially, the number of required neurons is explicitly linked to geometric properties of the underlying sets $\mathcal{X}^-, \mathcal{X}^+$ and their mutual arrangement. This instance-specific viewpoint allows us to overcome the usual curse of dimensionality (exponential width of the layers) in non-pathological situations where the data carries low-complexity structure. We quantify the relevant structure of the data in terms of a novel notion of mutual complexity (based on a localized version of Gaussian mean width), which leads to sound and informative separation guarantees. We connect our result with related lines of work on approximation, memorization, and generalization.

We investigate properties of goodness-of-fit tests based on the Kernel Stein Discrepancy (KSD). We introduce a strategy to construct a test, called KSDAgg, which aggregates multiple tests with different kernels. KSDAgg avoids splitting the data to perform kernel selection (which leads to a loss in test power), and rather maximises the test power over a collection of kernels. We provide non-asymptotic guarantees on the power of KSDAgg: we show it achieves the smallest uniform separation rate of the collection, up to a logarithmic term. For compactly supported densities with bounded model score function, we derive the rate for KSDAgg over restricted Sobolev balls; this rate corresponds to the minimax optimal rate over unrestricted Sobolev balls, up to an iterated logarithmic term. KSDAgg can be computed exactly in practice as it relies either on a parametric bootstrap or on a wild bootstrap to estimate the quantiles and the level corrections. In particular, for the crucial choice of bandwidth of a fixed kernel, it avoids resorting to arbitrary heuristics (such as median or standard deviation) or to data splitting. We find on both synthetic and real-world data that KSDAgg outperforms other state-of-the-art quadratic-time adaptive KSD-based goodness-of-fit testing procedures.

The use of machine learning to build subgrid parametrizations for climate models is receiving growing attention. State-of-the-art strategies address the problem as a supervised learning task and optimize algorithms that predict subgrid fluxes based on information from coarse resolution models. In practice, training data are generated from higher resolution numerical simulations transformed in order to mimic coarse resolution simulations. By essence, these strategies optimize subgrid parametrizations to meet so-called $\textit{a priori}$ criteria. But the actual purpose of a subgrid parametrization is to obtain good performance in terms of $\textit{a posteriori}$ metrics which imply computing entire model trajectories. In this paper, we focus on the representation of energy backscatter in two dimensional quasi-geostrophic turbulence and compare parametrizations obtained with different learning strategies at fixed computational complexity. We show that strategies based on $\textit{a priori}$ criteria yield parametrizations that tend to be unstable in direct simulations and describe how subgrid parametrizations can alternatively be trained end-to-end in order to meet $\textit{a posteriori}$ criteria. We illustrate that end-to-end learning strategies yield parametrizations that outperform known empirical and data-driven schemes in terms of performance, stability and ability to apply to different flow configurations. These results support the relevance of differentiable programming paradigms for climate models in the future.

Multiple methods of finding the vertices belonging to a planted dense subgraph in a random dense $G(n, p)$ graph have been proposed, with an emphasis on planted cliques. Such methods can identify the planted subgraph in polynomial time, but are all limited to several subgraph structures. Here, we present PYGON, a graph neural network-based algorithm, which is insensitive to the structure of the planted subgraph. This is the first algorithm that uses advanced learning tools for recovering dense subgraphs. We show that PYGON can recover cliques of sizes $\Theta\left(\sqrt{n}\right)$, where $n$ is the size of the background graph, comparable with the state of the art. We also show that the same algorithm can recover multiple other planted subgraphs of size $\Theta\left(\sqrt{n}\right)$, in both directed and undirected graphs. We suggest a conjecture that no polynomial time PAC-learning algorithm can detect planted dense subgraphs with size smaller than $O\left(\sqrt{n}\right)$, even if in principle one could find dense subgraphs of logarithmic size.

In astronomical surveys, such as the Zwicky Transient Facility, supernovae (SNe) are relatively uncommon objects compared to other classes of variable events. Along with this scarcity, the processing of multi-band light-curves is a challenging task due to the highly irregular cadence, long time gaps, missing-values, few observations, etc. These issues are particularly detrimental to the analysis of transient events: SN-like light-curves. We offer three main contributions: 1) Based on temporal modulation and attention mechanisms, we propose a Deep attention model (TimeModAttn) to classify multi-band light-curves of different SN types, avoiding photometric or hand-crafted feature computations, missing-value assumptions, and explicit imputation/interpolation methods. 2) We propose a model for the synthetic generation of SN multi-band light-curves based on the Supernova Parametric Model, allowing us to increase the number of samples and the diversity of cadence. Thus, the TimeModAttn model is first pre-trained using synthetic light-curves. Then, a fine-tuning process is performed. The TimeModAttn model outperformed other Deep Learning models, based on Recurrent Neural Networks, in two scenarios: late-classification and early-classification. Also, the TimeModAttn model outperformed a Balanced Random Forest (BRF) classifier (trained with real data), increasing the balanced-$F_1$score from $\approx.525$ to $\approx.596$. When training the BRF with synthetic data, this model achieved similar performance to the TimeModAttn model proposed while still maintaining extra advantages. 3) We conducted interpretability experiments. High attention scores were obtained for observations earlier than and close to the SN brightness peaks. This also correlated with an early highly variability of the learned temporal modulation.

Recently, methods such as Decision Transformer that reduce reinforcement learning to a prediction task and solve it via supervised learning (RvS) have become popular due to their simplicity, robustness to hyperparameters, and strong overall performance on offline RL tasks. However, simply conditioning a probabilistic model on a desired return and taking the predicted action can fail dramatically in stochastic environments since trajectories that result in a return may have only achieved that return due to luck. In this work, we describe the limitations of RvS approaches in stochastic environments and propose a solution. Rather than simply conditioning on the return of a single trajectory as is standard practice, our proposed method, ESPER, learns to cluster trajectories and conditions on average cluster returns, which are independent from environment stochasticity. Doing so allows ESPER to achieve strong alignment between target return and expected performance in real environments. We demonstrate this in several challenging stochastic offline-RL tasks including the challenging puzzle game 2048, and Connect Four playing against a stochastic opponent. In all tested domains, ESPER achieves significantly better alignment between the target return and achieved return than simply conditioning on returns. ESPER also achieves higher maximum performance than even the value-based baselines.

We consider minimizing a smooth and strongly convex objective function using a stochastic Newton method. At each iteration, the algorithm is given an oracle access to a stochastic estimate of the Hessian matrix. The oracle model includes popular algorithms such as Subsampled Newton and Newton Sketch. Despite using second-order information, these existing methods do not exhibit superlinear convergence, unless the stochastic noise is gradually reduced to zero during the iteration, which would lead to a computational blow-up in the per-iteration cost. We propose to address this limitation with Hessian averaging: instead of using the most recent Hessian estimate, our algorithm maintains an average of all the past estimates. This reduces the stochastic noise while avoiding the computational blow-up. We show that this scheme exhibits local $Q$-superlinear convergence with a non-asymptotic rate of $(\Upsilon\sqrt{\log (t)/t}\,)^{t}$, where $\Upsilon$ is proportional to the level of stochastic noise in the Hessian oracle. A potential drawback of this (uniform averaging) approach is that the averaged estimates contain Hessian information from the global phase of the method, i.e., before the iterates converge to a local neighborhood. This leads to a distortion that may substantially delay the superlinear convergence until long after the local neighborhood is reached. To address this drawback, we study a number of weighted averaging schemes that assign larger weights to recent Hessians, so that the superlinear convergence arises sooner, albeit with a slightly slower rate. Remarkably, we show that there exists a universal weighted averaging scheme that transitions to local convergence at an optimal stage, and still exhibits a superlinear convergence rate nearly (up to a logarithmic factor) matching that of uniform Hessian averaging.

Algorithms designed for single-agent reinforcement learning (RL) generally fail to converge to equilibria in two-player zero-sum (2p0s) games. On the other hand, game-theoretic algorithms for approximating Nash and regularized equilibria in 2p0s games are not typically competitive for RL and can be difficult to scale. As a result, algorithms for these two cases are generally developed and evaluated separately. In this work, we show that a single algorithm can produce strong results in both settings, despite their fundamental differences. This algorithm, which we call magnet mirror descent (MMD), is a simple extension to mirror descent and a special case of a non-Euclidean proximal gradient algorithm. From a theoretical standpoint, we prove a novel linear convergence for this non-Euclidean proximal gradient algorithm for a class of variational inequality problems. It follows from this result that MMD converges linearly to quantal response equilibria (i.e., entropy regularized Nash equilibria) in extensive-form games; this is the first time linear convergence has been proven for a first order solver. Moreover, applied as a tabular Nash equilibrium solver via self-play, we show empirically that MMD produces results competitive with CFR; this is the first time that a standard RL algorithm has done so. Furthermore, for single-agent deep RL, on a small collection of Atari and Mujoco tasks, we show that MMD can produce results competitive with those of PPO. Lastly, for multi-agent deep RL, we show MMD can outperform NFSP in 3x3 Abrupt Dark Hex.

Over-parameterized residual networks (ResNets) are amongst the most successful convolutional neural architectures for image processing. Here we study their properties through their Gaussian Process and Neural Tangent kernels. We derive explicit formulas for these kernels, analyze their spectra, and provide bounds on their implied condition numbers. Our results indicate that (1) with ReLU activation, the eigenvalues of these residual kernels decay polynomially at a similar rate compared to the same kernels when skip connections are not used, thus maintaining a similar frequency bias; (2) however, residual kernels are more locally biased. Our analysis further shows that the matrices obtained by these residual kernels yield favorable condition numbers at finite depths than those obtained without the skip connections, enabling therefore faster convergence of training with gradient descent.

Artificial neural networks for motor control usually adopt generic architectures like fully connected MLPs. While general, these tabula rasa architectures rely on large amounts of experience to learn, are not easily transferable to new bodies, and have internal dynamics that are difficult to interpret. In nature, animals are born with highly structured connectivity in their nervous systems shaped by evolution; this innate circuitry acts synergistically with learning mechanisms to provide inductive biases that enable most animals to function well soon after birth and learn efficiently. Convolutional networks inspired by visual circuitry have encoded useful biases for vision. However, it is unknown the extent to which ANN architectures inspired by neural circuitry can yield useful biases for other AI domains. In this work, we ask what advantages biologically inspired ANN architecture can provide in the domain of motor control. Specifically, we translate C. elegans locomotion circuits into an ANN model controlling a simulated Swimmer agent. On a locomotion task, our architecture achieves good initial performance and asymptotic performance comparable with MLPs, while dramatically improving data efficiency and requiring orders of magnitude fewer parameters. Our architecture is interpretable and transfers to new body designs. An ablation analysis shows that constrained excitation/inhibition is crucial for learning, while weight initialization contributes to good initial performance. Our work demonstrates several advantages of biologically inspired ANN architecture and encourages future work in more complex embodied control.

It has been a long-standing dream to design artificial agents that explore their environment efficiently via intrinsic motivation, similar to how children perform curious free play. Despite recent advances in intrinsically motivated reinforcement learning (RL), sample-efficient exploration in object manipulation scenarios remains a significant challenge as most of the relevant information lies in the sparse agent-object and object-object interactions. In this paper, we propose to use structured world models to incorporate relational inductive biases in the control loop to achieve sample-efficient and interaction-rich exploration in compositional multi-object environments. By planning for future novelty inside structured world models, our method generates free-play behavior that starts to interact with objects early on and develops more complex behavior over time. Instead of using models only to compute intrinsic rewards, as commonly done, our method showcases that the self-reinforcing cycle between good models and good exploration also opens up another avenue: zero-shot generalization to downstream tasks via model-based planning. After the entirely intrinsic task-agnostic exploration phase, our method solves challenging downstream tasks such as stacking, flipping, pick & place, and throwing that generalizes to unseen numbers and arrangements of objects without any additional training.

We consider the problem of learning the energy disaggregation signals for residential load data. Such task is referred as non-intrusive load monitoring (NILM), and in order to find individual devices' power consumption profiles based on aggregated meter measurements, a machine learning model is usually trained based on large amount of training data coming from a number of residential homes. Yet collecting such residential load datasets require both huge efforts and customers' approval on sharing metering data, while load data coming from different regions or electricity users may exhibit heterogeneous usage patterns. Both practical concerns make training a single, centralized NILM model challenging. In this paper, we propose a decentralized and task-adaptive learning scheme for NILM tasks, where nested meta learning and federated learning steps are designed for learning task-specific models collectively. Simulation results on benchmark dataset validate proposed algorithm's performance on efficiently inferring appliance-level consumption for a variety of homes and appliances.

Models notoriously suffer from dataset biases which are detrimental to robustness and generalization. The identify-emphasize paradigm shows a promising effect in dealing with unknown biases. However, we find that it is still plagued by two challenges: A, the quality of the identified bias-conflicting samples is far from satisfactory; B, the emphasizing strategies just yield suboptimal performance. In this work, for challenge A, we propose an effective bias-conflicting scoring method to boost the identification accuracy with two practical strategies -- peer-picking and epoch-ensemble. For challenge B, we point out that the gradient contribution statistics can be a reliable indicator to inspect whether the optimization is dominated by bias-aligned samples. Then, we propose gradient alignment, which employs gradient statistics to balance the contributions of the mined bias-aligned and bias-conflicting samples dynamically throughout the learning process, forcing models to leverage intrinsic features to make fair decisions. Experiments are conducted on multiple datasets in various settings, demonstrating that the proposed solution can alleviate the impact of unknown biases and achieve state-of-the-art performance.

With deep learning applications becoming more practical, practitioners are inevitably faced with datasets corrupted by a variety of noise such as measurement errors, mislabeling and estimated surrogate inputs/outputs, which can have negative impacts on the optimization results. As a safety net, it is natural to improve the robustness to noise of the optimization algorithm which updates the network parameters in the final process of learning. Previous works revealed that the first momentum used in Adam-like stochastic gradient descent optimizers can be modified based on the Student's t-distribution to produce updates robust to noise. In this paper, we propose AdaTerm which derives not only the first momentum but also all of the involved statistics based on the Student's t-distribution, providing for the first time a unified treatment of the optimization process under the t-distribution statistical model. When the computed gradients statistically appear to be aberrant, AdaTerm excludes them from the update and reinforce its robustness for subsequent updates; otherwise, it normally updates the network parameters and relaxes its robustness for the following updates. With this noise-adaptive behavior, AdaTerm's excellent learning performance was confirmed via typical optimization problems with several cases where the noise ratio is different and/or unknown. In addition, we proved a new general trick for deriving a theoretical regret bound without AMSGrad.

We develop a rigorous mathematical analysis of zero-shot learning with attributes. In this setting, the goal is to label novel classes with no training data, only detectors for attributes and a description of how those attributes are correlated with the target classes, called the class-attribute matrix. We develop the first non-trivial lower bound on the worst-case error of the best map from attributes to classes for this setting, even with perfect attribute detectors. The lower bound characterizes the theoretical intrinsic difficulty of the zero-shot problem based on the available information -- the class-attribute matrix -- and the bound is practically computable from it. Our lower bound is tight, as we show that we can always find a randomized map from attributes to classes whose expected error is upper bounded by the value of the lower bound. We show that our analysis can be predictive of how standard zero-shot methods behave in practice, including which classes will likely be confused with others.

Developing new drugs for target diseases is a time-consuming and expensive task, drug repurposing has become a popular topic in the drug development field. As much health claim data become available, many studies have been conducted on the data. The real-world data is noisy, sparse, and has many confounding factors. In addition, many studies have shown that drugs effects are heterogeneous among the population. Lots of advanced machine learning models about estimating heterogeneous treatment effects (HTE) have emerged in recent years, and have been applied to in econometrics and machine learning communities. These studies acknowledge medicine and drug development as the main application area, but there has been limited translational research from the HTE methodology to drug development. We aim to introduce the HTE methodology to the healthcare area and provide feasibility consideration when translating the methodology with benchmark experiments on healthcare administrative claim data. Also, we want to use benchmark experiments to show how to interpret and evaluate the model when it is applied to healthcare research. By introducing the recent HTE techniques to a broad readership in biomedical informatics communities, we expect to promote the wide adoption of causal inference using machine learning. We also expect to provide the feasibility of HTE for personalized drug effectiveness.

Despite technological and medical advances, the detection, interpretation, and treatment of cancer based on imaging data continue to pose significant challenges. These include inter-observer variability, class imbalance, dataset shifts, inter- and intra-tumour heterogeneity, malignancy determination, and treatment effect uncertainty. Given the recent advancements in Generative Adversarial Networks (GANs), data synthesis, and adversarial training, we assess the potential of these technologies to address a number of key challenges of cancer imaging. We categorise these challenges into (a) data scarcity and imbalance, (b) data access and privacy, (c) data annotation and segmentation, (d) cancer detection and diagnosis, and (e) tumour profiling, treatment planning and monitoring. Based on our analysis of 164 publications that apply adversarial training techniques in the context of cancer imaging, we highlight multiple underexplored solutions with research potential. We further contribute the Synthesis Study Trustworthiness Test (SynTRUST), a meta-analysis framework for assessing the validation rigour of medical image synthesis studies. SynTRUST is based on 26 concrete measures of thoroughness, reproducibility, usefulness, scalability, and tenability. Based on SynTRUST, we analyse 16 of the most promising cancer imaging challenge solutions and observe a high validation rigour in general, but also several desirable improvements. With this work, we strive to bridge the gap between the needs of the clinical cancer imaging community and the current and prospective research on data synthesis and adversarial networks in the artificial intelligence community.

Fully Connected Neural Network (FCNN) is a class of Artificial Neural Networks widely used in computer science and engineering, whereas the training process can take a long time with large datasets in existing many-core systems. Optical Network-on-Chip (ONoC), an emerging chip-scale optical interconnection technology, has great potential to accelerate the training of FCNN with low transmission delay, low power consumption, and high throughput. However, existing methods based on Electrical Network-on-Chip (ENoC) cannot fit in ONoC because of the unique properties of ONoC. In this paper, we propose a fine-grained parallel computing model for accelerating FCNN training on ONoC and derive the optimal number of cores for each execution stage with the objective of minimizing the total amount of time to complete one epoch of FCNN training. To allocate the optimal number of cores for each execution stage, we present three mapping strategies and compare their advantages and disadvantages in terms of hotspot level, memory requirement, and state transitions. Simulation results show that the average prediction error for the optimal number of cores in NN benchmarks is within 2.3%. We further carry out extensive simulations which demonstrate that FCNN training time can be reduced by 22.28% and 4.91% on average using our proposed scheme, compared with traditional parallel computing methods that either allocate a fixed number of cores or allocate as many cores as possible, respectively. Compared with ENoC, simulation results show that under batch sizes of 64 and 128, on average ONoC can achieve 21.02% and 12.95% on reducing training time with 47.85% and 39.27% on saving energy, respectively.

Over the last years, robotic cloth manipulation has gained relevance within the research community. While significant advances have been made in robotic manipulation of rigid objects, the manipulation of non-rigid objects such as cloth garments is still a challenging problem. The uncertainty on how cloth behaves often requires the use of model-based approaches. However, cloth models have a very high dimensionality. Therefore, it is difficult to find a middle point between providing a manipulator with a dynamics model of cloth and working with a state space of tractable dimensionality. For this reason, most cloth manipulation approaches in literature perform static or quasi-static manipulation. In this paper, we propose a variation of Gaussian Process Dynamical Models (GPDMs) to model cloth dynamics in a low-dimensional manifold. GPDMs project a high-dimensional state space into a smaller dimension latent space which is capable of keeping the dynamic properties. Using such approach, we add control variables to the original formulation. In this way, it is possible to take into account the robot commands exerted on the cloth dynamics. We call this new version Controlled Gaussian Process Dynamical Model (CGPDM). Moreover, we propose an alternative parametric structure for the model, that is richer than the one employed in previous GPDM realizations. The modeling capacity of our proposal has been tested in both a simulated and a real scenario, where CGPDM proved to be capable of generalizing over a wide range of movements and correctly predicting the cloth motions obtained by previously unseen sequences of control actions.

Heterogeneous information networks (HINs) are widely employed for describing real-world data with intricate entities and relationships. To automatically utilize their semantic information, graph neural architecture search has recently been developed on various tasks of HINs. Existing works, on the other hand, show weaknesses in instability and inflexibility. To address these issues, we propose a novel method called Partial Message Meta Multigraph search (PMMM) to automatically optimize the neural architecture design on HINs. Specifically, to learn how graph neural networks (GNNs) propagate messages along various types of edges, PMMM adopts an efficient differentiable framework to search for a meaningful meta multigraph, which can capture more flexible and complex semantic relations than a meta graph. The differentiable search typically suffers from performance instability, so we further propose a stable algorithm called partial message search to ensure that the searched meta multigraph consistently surpasses the manually designed meta-structures, i.e., meta-paths. Extensive experiments on six benchmark datasets over two representative tasks, including node classification and recommendation, demonstrate the effectiveness of the proposed method. Our approach outperforms the state-of-the-art heterogeneous GNNs, finds out meaningful meta multigraphs, and is significantly more stable.

Federated Learning is a distributed machine learning framework designed for data privacy preservation i.e., local data remain private throughout the entire training and testing procedure. Federated Learning is gaining popularity because it allows one to use machine learning techniques while preserving privacy. However, it inherits the vulnerabilities and susceptibilities raised in deep learning techniques. For instance, Federated Learning is particularly vulnerable to data poisoning attacks that may deteriorate its performance and integrity due to its distributed nature and inaccessibility to the raw data. In addition, it is extremely difficult to correctly identify malicious clients due to the non-Independently and/or Identically Distributed (non-IID) data. The real-world data can be complex and diverse, making them hardly distinguishable from the malicious data without direct access to the raw data. Prior research has focused on detecting malicious clients while treating only the clients having IID data as benign. In this study, we propose a method that detects and classifies anomalous clients from benign clients when benign ones have non-IID data. Our proposed method leverages feature dimension reduction, dynamic clustering, and cosine similarity-based clipping. The experimental results validates that our proposed method not only classifies the malicious clients but also alleviates their negative influences from the entire procedure. Our findings may be used in future studies to effectively eliminate anomalous clients when building a model with diverse data.

Physics-Informed Neural Networks (PINN) are algorithms from deep learning leveraging physical laws by including partial differential equations together with a respective set of boundary and initial conditions as penalty terms into their loss function. In this work, we observe the significant role of correctly weighting the combination of multiple competitive loss functions for training PINNs effectively. To this end, we implement and evaluate different methods aiming at balancing the contributions of multiple terms of the PINNs loss function and their gradients. After reviewing of three existing loss scaling approaches (Learning Rate Annealing, GradNorm and SoftAdapt), we propose a novel self-adaptive loss balancing scheme for PINNs named \emph{ReLoBRaLo} (Relative Loss Balancing with Random Lookback). We extensively evaluate the performance of the aforementioned balancing schemes by solving both forward as well as inverse problems on three benchmark PDEs for PINNs: Burgers' equation, Kirchhoff's plate bending equation and Helmholtz's equation. The results show that ReLoBRaLo is able to consistently outperform the baseline of existing scaling methods in terms of accuracy, while also inducing significantly less computational overhead.

Modern large-scale deep learning workloads highlight the need for parallel execution across many devices in order to fit model data into hardware accelerator memories. In these settings, array redistribution may be required during a computation, but can also become a bottleneck if not done efficiently. In this paper we address the problem of redistributing multi-dimensional array data in SPMD computations, the most prevalent form of parallelism in deep learning. We present a type-directed approach to synthesizing array redistributions as sequences of MPI-style collective operations. We prove formally that our synthesized redistributions are memory-efficient and perform no excessive data transfers. Array redistribution for SPMD computations using collective operations has also been implemented in the context of the XLA SPMD partitioner, a production-grade tool for partitioning programs across accelerator systems. We evaluate our approach against the XLA implementation and find that our approach delivers a geometric mean speedup of $1.22\times$, with maximum speedups as a high as $5.7\times$, while offering provable memory guarantees, making our system particularly appealing for large-scale models.

Many works in explainable AI have focused on explaining black-box classification models. Explaining deep reinforcement learning (RL) policies in a manner that could be understood by domain users has received much less attention. In this paper, we propose a novel perspective to understanding RL policies based on identifying important states from automatically learned meta-states. The key conceptual difference between our approach and many previous ones is that we form meta-states based on locality governed by the expert policy dynamics rather than based on similarity of actions, and that we do not assume any particular knowledge of the underlying topology of the state space. Theoretically, we show that our algorithm to find meta-states converges and the objective that selects important states from each meta-state is submodular leading to efficient high quality greedy selection. Experiments on four domains (four rooms, door-key, minipacman, and pong) and a carefully conducted user study illustrate that our perspective leads to better understanding of the policy. We conjecture that this is a result of our meta-states being more intuitive in that the corresponding important states are strong indicators of tractable intermediate goals that are easier for humans to interpret and follow.

Machine learning models are gaining increasing popularity in the domain of fluid dynamics for their potential to accelerate the production of high-fidelity computational fluid dynamics data. However, many recently proposed machine learning models for high-fidelity data reconstruction require low-fidelity data for model training. Such requirement restrains the application performance of these models, since their data reconstruction accuracy would drop significantly if the low-fidelity input data used in model test has a large deviation from the training data. To overcome this restraint, we propose a diffusion model which only uses high-fidelity data at training. With different configurations, our model is able to reconstruct high-fidelity data from either a regular low-fidelity sample or a sparsely measured sample, and is also able to gain an accuracy increase by using physics-informed conditioning information from a known partial differential equation when that is available. Experimental results demonstrate that our model can produce accurate reconstruction results for 2d turbulent flows based on different input sources without retraining.

Recent studies have shown that Deep Neural Networks (DNNs) are vulnerable to the backdoor attacks, which leads to malicious behaviors of DNNs when specific triggers are attached to the input images. It was further demonstrated that the infected DNNs possess a collection of channels, which are more sensitive to the backdoor triggers compared with normal channels. Pruning these channels was then shown to be effective in mitigating the backdoor behaviors. To locate those channels, it is natural to consider their Lipschitzness, which measures their sensitivity against worst-case perturbations on the inputs. In this work, we introduce a novel concept called Channel Lipschitz Constant (CLC), which is defined as the Lipschitz constant of the mapping from the input images to the output of each channel. Then we provide empirical evidences to show the strong correlation between an Upper bound of the CLC (UCLC) and the trigger-activated change on the channel activation. Since UCLC can be directly calculated from the weight matrices, we can detect the potential backdoor channels in a data-free manner, and do simple pruning on the infected DNN to repair the model. The proposed Channel Lipschitzness based Pruning (CLP) method is super fast, simple, data-free and robust to the choice of the pruning threshold. Extensive experiments are conducted to evaluate the efficiency and effectiveness of CLP, which achieves state-of-the-art results among the mainstream defense methods even without any data. Source codes are available at https://github.com/rkteddy/channel-Lipschitzness-based-pruning.

The abundance of data has given machine learning considerable momentum in natural sciences and engineering, though modeling of physical processes is often difficult. A particularly tough problem is the efficient representation of geometric boundaries. Triangularized geometric boundaries are well understood and ubiquitous in engineering applications. However, it is notoriously difficult to integrate them into machine learning approaches due to their heterogeneity with respect to size and orientation. In this work, we introduce an effective theory to model particle-boundary interactions, which leads to our new Boundary Graph Neural Networks (BGNNs) that dynamically modify graph structures to obey boundary conditions. The new BGNNs are tested on complex 3D granular flow processes of hoppers, rotating drums and mixers, which are all standard components of modern industrial machinery but still have complicated geometry. BGNNs are evaluated in terms of computational efficiency as well as prediction accuracy of particle flows and mixing entropies. BGNNs are able to accurately reproduce 3D granular flows within simulation uncertainties over hundreds of thousands of simulation timesteps. Most notably, in our experiments, particles stay within the geometric objects without using handcrafted conditions or restrictions.

The accurate characterization of the severity of the wildfire event strongly contributes to the characterization of the fuel conditions in fire-prone areas, and provides valuable information for disaster response. The aim of this study is to develop an autonomous system built on top of high-resolution multispectral satellite imagery, with an advanced deep learning method for detecting burned area change. This work proposes an initial exploration of using an unsupervised model for feature extraction in wildfire scenarios. It is based on the contrastive learning technique SimCLR, which is trained to minimize the cosine distance between augmentations of images. The distance between encoded images can also be used for change detection. We propose changes to this method that allows it to be used for unsupervised burned area detection and following downstream tasks. We show that our proposed method outperforms the tested baseline approaches.

We consider the convex quadratic optimization problem with indicator variables and arbitrary constraints on the indicators. We show that a convex hull description of the associated mixed-integer set in an extended space with a quadratic number of additional variables consists of a single positive semidefinite constraint (explicitly stated) and linear constraints. In particular, convexification of this class of problems reduces to describing a polyhedral set in an extended formulation. While the vertex representation of this polyhedral set is exponential and an explicit linear inequality description may not be readily available in general, we derive a compact mixed-integer linear formulation whose solutions coincide with the vertices of the polyhedral set. We also give descriptions in the original space of variables: we provide a description based on an infinite number of conic-quadratic inequalities, which are ``finitely generated." In particular, it is possible to characterize whether a given inequality is necessary to describe the convex hull. The new theory presented here unifies several previously established results, and paves the way toward utilizing polyhedral methods to analyze the convex hull of mixed-integer nonlinear sets.

Model agnostic feature attribution algorithms (such as SHAP and LIME) are ubiquitous techniques for explaining the decisions of complex classification models, such as deep neural networks. However, since complex classification models produce superior performance when trained on low-level (or encoded) features, in many cases, the explanations generated by these algorithms are neither interpretable nor usable by humans. Methods proposed in recent studies that support the generation of human-interpretable explanations are impractical, because they require a fully invertible transformation function that maps the model's input features to the human-interpretable features. In this work, we introduce Latent SHAP, a black-box feature attribution framework that provides human-interpretable explanations, without the requirement for a fully invertible transformation function. We demonstrate Latent SHAP's effectiveness using (1) a controlled experiment where invertible transformation functions are available, which enables robust quantitative evaluation of our method, and (2) celebrity attractiveness classification (using the CelebA dataset) where invertible transformation functions are not available, which enables thorough qualitative evaluation of our method.

Deep neural networks implement a sequence of layer-by-layer operations that are each relatively easy to understand, but the resulting overall computation is generally difficult to understand. We consider a simple hypothesis for interpreting the layer-by-layer construction of useful representations: perhaps the role of each layer is to reformat information to reduce the "distance" to the desired outputs. With this framework, the layer-wise computation implemented by a deep neural network can be viewed as a path through a high-dimensional representation space. We formalize this intuitive idea of a "path" by leveraging recent advances in *metric* representational similarity. We extend existing representational distance methods by computing geodesics, angles, and projections of representations, going beyond mere layer distances. We then demonstrate these tools by visualizing and comparing the paths taken by ResNet and VGG architectures on CIFAR-10. We conclude by sketching additional ways that this kind of representational geometry can be used to understand and interpret network training, and to describe novel kinds of similarities between different models.

We present a technique for neural network verification using mixed-integer programming (MIP) formulations. We derive a \emph{strong formulation} for each neuron in a network using piecewise linear activation functions. Additionally, as in general, these formulations may require an exponential number of inequalities, we also derive a separation procedure that runs in super-linear time in the input dimension. We first introduce and develop our technique on the class of \emph{staircase} functions, which generalizes the ReLU, binarized, and quantized activation functions. We then use results for staircase activation functions to obtain a separation method for general piecewise linear activation functions. Empirically, using our strong formulation and separation technique, we can reduce the computational time in exact verification settings based on MIP and improve the false negative rate for inexact verifiers relying on the relaxation of the MIP formulation.

Deep anomaly detection methods learn representations that separate between normal and anomalous images. Although self-supervised representation learning is commonly used, small dataset sizes limit its effectiveness. It was previously shown that utilizing external, generic datasets (e.g. ImageNet classification) can significantly improve anomaly detection performance. One approach is outlier exposure, which fails when the external datasets do not resemble the anomalies. We take the approach of transferring representations pre-trained on external datasets for anomaly detection. Anomaly detection performance can be significantly improved by fine-tuning the pre-trained representations on the normal training images. In this paper, we first demonstrate and analyze that contrastive learning, the most popular self-supervised learning paradigm cannot be naively applied to pre-trained features. The reason is that pre-trained feature initialization causes poor conditioning for standard contrastive objectives, resulting in bad optimization dynamics. Based on our analysis, we provide a modified contrastive objective, the Mean-Shifted Contrastive Loss. Our method is highly effective and achieves a new state-of-the-art anomaly detection performance including $98.6\%$ ROC-AUC on the CIFAR-10 dataset.

AI code-recommendation systems (CodeRec), such as Copilot, can assist programmers inside an IDE by suggesting and autocompleting arbitrary code; potentially improving their productivity. To understand how these AI improve programmers in a coding session, we need to understand how they affect programmers' behavior. To make progress, we studied GitHub Copilot, and developed CUPS -- a taxonomy of 12 programmer activities common to AI code completion systems. We then conducted a study with 21 programmers who completed coding tasks and used our labeling tool to retrospectively label their sessions with CUPS. We analyze over 3000 label instances, and visualize the results with timelines and state machines to profile programmer-CodeRec interaction. This reveals novel insights into the distribution and patterns of programmer behavior, as well as inefficiencies and time costs. Finally, we use these insights to inform future interventions to improve AI-assisted programming and human-AI interaction.

Recent advances in Deep Learning have greatly improved performance on various tasks such as object detection, image segmentation, sentiment analysis. The focus of most research directions up until very recently has been on beating state-of-the-art results. This has materialized in the utilization of bigger and bigger models and techniques which help the training procedure to extract more predictive power out of a given dataset. While this has lead to great results, many of which with real-world applications, other relevant aspects of deep learning have remained neglected and unknown. In this work, we will present several novel deep learning training techniques which, while capable of offering significant performance gains they also reveal several interesting analysis results regarding convergence speed, optimization landscape smoothness, and adversarial robustness. The methods presented in this work are the following: $\bullet$ Perfect Ordering Approximation; a generalized model agnostic curriculum learning approach. The results show the effectiveness of the technique for improving training time as well as offer some new insight into the training process of deep networks. $\bullet$ Cascading Sum Augmentation; an extension of mixup capable of utilizing more data points for linear interpolation by leveraging a smoother optimization landscape. This can be used for computer vision tasks in order to improve both prediction performance as well as improve passive model robustness.

Recent advances in adversarial machine learning have shown that defenses considered to be robust are actually susceptible to adversarial attacks which are specifically tailored to target their weaknesses. These defenses include Barrage of Random Transforms (BaRT), Friendly Adversarial Training (FAT), Trash is Treasure (TiT) and ensemble models made up of Vision Transformers (ViTs), Big Transfer models and Spiking Neural Networks (SNNs). A natural question arises: how can one best leverage a combination of adversarial defenses to thwart such attacks? In this paper, we provide a game-theoretic framework for ensemble adversarial attacks and defenses which answers this question. In addition to our framework we produce the first adversarial defense transferability study to further motivate a need for combinational defenses utilizing a diverse set of defense architectures. Our framework is called Game theoretic Mixed Experts (GaME) and is designed to find the Mixed-Nash strategy for a defender when facing an attacker employing compositional adversarial attacks. We show that this framework creates an ensemble of defenses with greater robustness than multiple state-of-the-art, single-model defenses in addition to combinational defenses with uniform probability distributions. Overall, our framework and analyses advance the field of adversarial machine learning by yielding new insights into compositional attack and defense formulations.

Knowledge distillation aims to transfer knowledge to the student model by utilizing the predictions/features of the teacher model, and feature-based distillation has recently shown its superiority over logit-based distillation. However, due to the cumbersome computation and storage of extra feature transformation, the training overhead of feature-based methods is much higher than that of logit-based distillation. In this work, we revisit the logit-based knowledge distillation, and observe that the existing logit-based distillation methods treat the prediction logits only in the instance level, while many other useful semantic information is overlooked. To address this issue, we propose a Class-aware Logit Knowledge Distillation (CLKD) method, that extents the logit distillation in both instance-level and class-level. CLKD enables the student model mimic higher semantic information from the teacher model, hence improving the distillation performance. We further introduce a novel loss called Class Correlation Loss to force the student learn the inherent class-level correlation of the teacher. Empirical comparisons demonstrate the superiority of the proposed method over several prevailing logit-based methods and feature-based methods, in which CLKD achieves compelling results on various visual classification tasks and outperforms the state-of-the-art baselines.

In node classification tasks, graph convolutional neural networks (GCNs) have demonstrated competitive performance over traditional methods on diverse graph data. However, it is known that the performance of GCNs degrades with increasing number of layers (oversmoothing problem) and recent studies have also shown that GCNs may perform worse in heterophilous graphs, where neighboring nodes tend to belong to different classes (heterophily problem). These two problems are usually viewed as unrelated, and thus are studied independently, often at the graph filter level from a spectral perspective. We are the first to take a unified perspective to jointly explain the oversmoothing and heterophily problems at the node level. Specifically, we profile the nodes via two quantitative metrics: the relative degree of a node (compared to its neighbors) and the node-level heterophily. Our theory shows that the interplay of these two profiling metrics defines three cases of node behaviors, which explain the oversmoothing and heterophily problems jointly and can predict the performance of GCNs. Based on insights from our theory, we show theoretically and empirically the effectiveness of two strategies: structure-based edge correction, which learns corrected edge weights from structural properties (i.e., degrees), and feature-based edge correction, which learns signed edge weights from node features. Compared to other approaches, which tend to handle well either heterophily or oversmoothing, we show that {our model, GGCN}, which incorporates the two strategies performs well in both problems.

Node classification is an important task to solve in graph-based learning. Even though a lot of work has been done in this field, imbalance is neglected. Real-world data is not perfect, and is imbalanced in representations most of the times. Apart from text and images, data can be represented using graphs, and thus addressing the imbalance in graphs has become of paramount importance. In the context of node classification, one class has less examples than others. Changing data composition is a popular way to address the imbalance in node classification. This is done by resampling the data to balance the dataset. However, that can sometimes lead to loss of information or add noise to the dataset. Therefore, in this work, we implicitly solve the problem by changing the model loss. Specifically, we study how attention networks can help tackle imbalance. Moreover, we observe that using a regularizer to assign larger weights to minority nodes helps to mitigate this imbalance. We achieve State of the Art results than the existing methods on several standard citation benchmark datasets.

A recent focal area in the space of graph neural networks (GNNs) is graph self-supervised learning (SSL), which aims to derive useful node representations without labeled data. Notably, many state-of-the-art graph SSL methods are contrastive methods, which use a combination of positive and negative samples to learn node representations. Owing to challenges in negative sampling (slowness and model sensitivity), recent literature introduced non-contrastive methods, which instead only use positive samples. Though such methods have shown promising performance in node-level tasks, their suitability for link prediction tasks, which are concerned with predicting link existence between pairs of nodes (and have broad applicability to recommendation systems contexts) is yet unexplored. In this work, we extensively evaluate the performance of existing non-contrastive methods for link prediction in both transductive and inductive settings. While most existing non-contrastive methods perform poorly overall, we find that, surprisingly, BGRL generally performs well in transductive settings. However, it performs poorly in the more realistic inductive settings where the model has to generalize to links to/from unseen nodes. We find that non-contrastive models tend to overfit to the training graph and use this analysis to propose T-BGRL, a novel non-contrastive framework that incorporates cheap corruptions to improve the generalization ability of the model. This simple modification strongly improves inductive performance in 5/6 of our datasets, with up to a 120% improvement in Hits@50--all with comparable speed to other non-contrastive baselines and up to 14x faster than the best-performing contrastive baseline. Our work imparts interesting findings about non-contrastive learning for link prediction and paves the way for future researchers to further expand upon this area.

Task learning in neural networks typically requires finding a globally optimal minimizer to a loss function objective. Conventional designs of swarm based optimization methods apply a fixed update rule, with possibly an adaptive step-size for gradient descent based optimization. While these methods gain huge success in solving different optimization problems, there are some cases where these schemes are either inefficient or suffering from local-minimum. We present a new particle-swarm-based framework utilizing Gaussian Process Regression to learn the underlying dynamical process of descent. The biggest advantage of this approach is greater exploration around the current state before deciding a descent direction. Empirical results show our approach can escape from the local minima compare with the widely-used state-of-the-art optimizers when solving non-convex optimization problems. We also test our approach under high-dimensional parameter space case, namely, image classification task.

We tackle the problem of target-free text-guided image manipulation, which requires one to modify the input reference image based on the given text instruction, while no ground truth target image is observed during training. To address this challenging task, we propose a Cyclic-Manipulation GAN (cManiGAN) in this paper, which is able to realize where and how to edit the image regions of interest. Specifically, the image editor in cManiGAN learns to identify and complete the input image, while cross-modal interpreter and reasoner are deployed to verify the semantic correctness of the output image based on the input instruction. While the former utilizes factual/counterfactual description learning for authenticating the image semantics, the latter predicts the "undo" instruction and provides pixel-level supervision for the training of cManiGAN. With such operational cycle-consistency, our cManiGAN can be trained in the above weakly supervised setting. We conduct extensive experiments on the datasets of CLEVR and COCO, and the effectiveness and generalizability of our proposed method can be successfully verified. Project page: https://sites.google.com/view/wancyuanfan/projects/cmanigan.

A robotic feeding system must be able to acquire a variety of foods. Prior bite acquisition works consider single-arm spoon scooping or fork skewering, which do not generalize to foods with complex geometries and deformabilities. For example, when acquiring a group of peas, skewering could smoosh the peas while scooping without a barrier could result in chasing the peas on the plate. In order to acquire foods with such diverse properties, we propose stabilizing food items during scooping using a second arm, for example, by pushing peas against the spoon with a flat surface to prevent dispersion. The added stabilizing arm can lead to new challenges. Critically, this arm should stabilize the food scene without interfering with the acquisition motion, which is especially difficult for easily breakable high-risk food items like tofu. These high-risk foods can break between the pusher and spoon during scooping, which can lead to food waste falling out of the spoon. We propose a general bimanual scooping primitive and an adaptive stabilization strategy that enables successful acquisition of a diverse set of food geometries and physical properties. Our approach, CARBS: Coordinated Acquisition with Reactive Bimanual Scooping, learns to stabilize without impeding task progress by identifying high-risk foods and robustly scooping them using closed-loop visual feedback. We find that CARBS is able to generalize across food shape, size, and deformability and is additionally able to manipulate multiple food items simultaneously. CARBS achieves 87.0% success on scooping rigid foods, which is 25.8% more successful than a single-arm baseline, and reduces food breakage by 16.2% compared to an analytical baseline. Videos can be found at https://sites.google.com/view/bimanualscoop-corl22/home .

Graph Neural Networks (GNNs) have emerged as the leading paradigm for solving graph analytical problems in various real-world applications. Nevertheless, GNNs could potentially render biased predictions towards certain demographic subgroups. Understanding how the bias in predictions arises is critical, as it guides the design of GNN debiasing mechanisms. However, most existing works overwhelmingly focus on GNN debiasing, but fall short on explaining how such bias is induced. In this paper, we study a novel problem of interpreting GNN unfairness through attributing it to the influence of training nodes. Specifically, we propose a novel strategy named Probabilistic Distribution Disparity (PDD) to measure the bias exhibited in GNNs, and develop an algorithm to efficiently estimate the influence of each training node on such bias. We verify the validity of PDD and the effectiveness of influence estimation through experiments on real-world datasets. Finally, we also demonstrate how the proposed framework could be used for debiasing GNNs. Open-source code can be found at https://github.com/yushundong/BIND.

Future surveys such as the Legacy Survey of Space and Time (LSST) of the Vera C. Rubin Observatory will observe an order of magnitude more astrophysical transient events than any previous survey before. With this deluge of photometric data, it will be impossible for all such events to be classified by humans alone. Recent efforts have sought to leverage machine learning methods to tackle the challenge of astronomical transient classification, with ever improving success. Transformers are a recently developed deep learning architecture, first proposed for natural language processing, that have shown a great deal of recent success. In this work we develop a new transformer architecture, which uses multi-head self attention at its core, for general multi-variate time-series data. Furthermore, the proposed time-series transformer architecture supports the inclusion of an arbitrary number of additional features, while also offering interpretability. We apply the time-series transformer to the task of photometric classification, minimising the reliance of expert domain knowledge for feature selection, while achieving results comparable to state-of-the-art photometric classification methods. We achieve a logarithmic-loss of 0.507 on imbalanced data in a representative setting using data from the Photometric LSST Astronomical Time-Series Classification Challenge (PLAsTiCC). Moreover, we achieve a micro-averaged receiver operating characteristic area under curve of 0.98 and micro-averaged precision-recall area under curve of 0.87.

Traffic forecasting as a canonical task of multivariate time series forecasting has been a significant research topic in AI community. To address the spatio-temporal heterogeneity and non-stationarity implied in the traffic stream, in this study, we propose Spatio-Temporal Meta-Graph Learning as a novel Graph Structure Learning mechanism on spatio-temporal data. Specifically, we implement this idea into Meta-Graph Convolutional Recurrent Network (MegaCRN) by plugging the Meta-Graph Learner powered by a Meta-Node Bank into GCRN encoder-decoder. We conduct a comprehensive evaluation on two benchmark datasets (METR-LA and PEMS-BAY) and a new large-scale traffic speed dataset in which traffic incident information is contained. Our model outperformed the state-of-the-arts to a large degree on all three datasets (over 27% MAE and 34% RMSE). Besides, through a series of qualitative evaluations, we demonstrate that our model can explicitly disentangle the road links and time slots with different patterns and be robustly adaptive to any anomalous traffic situations. Codes and datasets are available at https://github.com/deepkashiwa20/MegaCRN.

Graph self-supervised learning (SSL) has been vastly employed to learn representations from unlabeled graphs. Existing methods can be roughly divided into predictive learning and contrastive learning, where the latter one attracts more research attention with better empirical performance. We argue that, however, predictive models weaponed with powerful decoder could achieve comparable or even better representation power than contrastive models. In this work, we propose a Wiener Graph Deconvolutional Network (WGDN), an augmentation-adaptive decoder empowered by graph wiener filter to perform information reconstruction. Theoretical analysis proves the superior reconstruction ability of graph wiener filter. Extensive experimental results on various datasets demonstrate the effectiveness of our approach.

Continual Learning (CL) is the process of learning ceaselessly a sequence of tasks. Most existing CL methods deal with independent data (e.g., images and text) for which many benchmark frameworks and results under standard experimental settings are available. CL methods for graph data, however, are surprisingly underexplored because of (a) the lack of standard experimental settings, especially regarding how to deal with the dependency between instances, (b) the lack of benchmark datasets and scenarios, and (c) high complexity in implementation and evaluation due to the dependency. In this paper, regarding (a), we define four standard incremental settings (task-, class-, domain-, and time-incremental settings) for graph data, which are naturally applied to many node-, link-, and graph-level problems. Regarding (b), we provide 23 benchmark scenarios based on 14 real-world graphs. Regarding (c), we develop BeGin, an easy and fool-proof framework for graph CL. BeGin is easily extended since it is modularized with reusable modules for data processing, algorithm design, and evaluation. Especially, the evaluation module is completely separated from user code to eliminate potential mistakes in evaluation. Using all above, we report extensive benchmark results of seven graph CL methods. Compared to the latest benchmark for graph CL, using BeGin, we cover three times more combinations of incremental settings and levels of problems.

With the popularity of cryptocurrencies and the remarkable development of blockchain technology, decentralized applications emerged as a revolutionary force for the Internet. Meanwhile, decentralized applications have also attracted intense attention from the online gambling community, with more and more decentralized gambling platforms created through the help of smart contracts. Compared with conventional gambling platforms, decentralized gambling have transparent rules and a low participation threshold, attracting a substantial number of gamblers. In order to discover gambling behaviors and identify the contracts and addresses involved in gambling, we propose a tool termed ETHGamDet. The tool is able to automatically detect the smart contracts and addresses involved in gambling by scrutinizing the smart contract code and address transaction records. Interestingly, we present a novel LightGBM model with memory components, which possesses the ability to learn from its own misclassifications. As a side contribution, we construct and release a large-scale gambling dataset at https://github.com/AwesomeHuang/Bitcoin-Gambling-Dataset to facilitate future research in this field. Empirically, ETHGamDet achieves a F1-score of 0.72 and 0.89 in address classification and contract classification respectively, and offers novel and interesting insights.

Ordinal optimization (OO) is a widely-studied technique for optimizing discrete-event dynamic systems (DEDS). It evaluates the performance of the system designs in a finite set by sampling and aims to correctly make ordinal comparison of the designs. A well-known method in OO is the optimal computing budget allocation (OCBA). It builds the optimality conditions for the number of samples allocated to each design, and the sample allocation that satisfies the optimality conditions is shown to asymptotically maximize the probability of correct selection for the best design. In this paper, we investigate two popular OCBA algorithms. With known variances for samples of each design, we characterize their convergence rates with respect to different performance measures. We first demonstrate that the two OCBA algorithms achieve the optimal convergence rate under measures of probability of correct selection and expected opportunity cost. It fills the void of convergence analysis for OCBA algorithms. Next, we extend our analysis to the measure of cumulative regret, a main measure studied in the field of machine learning. We show that with minor modification, the two OCBA algorithms can reach the optimal convergence rate under cumulative regret. It indicates the potential of broader use of algorithms designed based on the OCBA optimality conditions.

Interval-censored data solely records the aggregated counts of events during specific time intervals - such as the number of patients admitted to the hospital or the volume of vehicles passing traffic loop detectors - and not the exact occurrence time of the events. It is currently not understood how to fit the Hawkes point processes to this kind of data. Its typical loss function (the point process log-likelihood) cannot be computed without exact event times. Furthermore, it does not have the independent increments property to use the Poisson likelihood. This work builds a novel point process, a set of tools, and approximations for fitting Hawkes processes within interval-censored data scenarios. First, we define the Mean Behavior Poisson process (MBPP), a novel Poisson process with a direct parameter correspondence to the popular self-exciting Hawkes process. We fit MBPP in the interval-censored setting using an interval-censored Poisson log-likelihood (IC-LL). We use the parameter equivalence to uncover the parameters of the associated Hawkes process. Second, we introduce two novel exogenous functions to distinguish the exogenous from the endogenous events. We propose the multi-impulse exogenous function - for when the exogenous events are observed as event time - and the latent homogeneous Poisson process exogenous function - for when the exogenous events are presented as interval-censored volumes. Third, we provide several approximation methods to estimate the intensity and compensator function of MBPP when no analytical solution exists. Fourth and finally, we connect the interval-censored loss of MBPP to a broader class of Bregman divergence-based functions. Using the connection, we show that the popularity estimation algorithm Hawkes Intensity Process (HIP) is a particular case of the MBPP. We verify our models through empirical testing on synthetic data and real-world data.

This review addresses the problem of learning abstract representations of the measurement data in the context of Deep Reinforcement Learning (DRL). While the data are often ambiguous, high-dimensional, and complex to interpret, many dynamical systems can be effectively described by a low-dimensional set of state variables. Discovering these state variables from the data is a crucial aspect for improving the data efficiency, robustness and generalization of DRL methods, tackling the \textit{curse of dimensionality}, and bringing interpretability and insights into black-box DRL. This review provides a comprehensive and complete overview of unsupervised representation learning in DRL by describing the main Deep Learning tools used for learning representations of the world, providing a systematic view of the method and principles, summarizing applications, benchmarks and evaluation strategies, and discussing open challenges and future directions.

The role of the attention mechanism in encoding linguistic knowledge has received special interest in NLP. However, the ability of the attention heads to judge the grammatical acceptability of a sentence has been underexplored. This paper approaches the paradigm of acceptability judgments with topological data analysis (TDA), showing that the geometric properties of the attention graph can be efficiently exploited for two standard practices in linguistics: binary judgments and linguistic minimal pairs. Topological features enhance the BERT-based acceptability classifier scores by $8$%-$24$% on CoLA in three languages (English, Italian, and Swedish). By revealing the topological discrepancy between attention maps of minimal pairs, we achieve the human-level performance on the BLiMP benchmark, outperforming nine statistical and Transformer LM baselines. At the same time, TDA provides the foundation for analyzing the linguistic functions of attention heads and interpreting the correspondence between the graph features and grammatical phenomena.

A new line of research for feature selection based on neural networks has recently emerged. Despite its superiority to classical methods, it requires many training iterations to converge and detect informative features. The computational time becomes prohibitively long for datasets with a large number of samples or a very high dimensional feature space. In this paper, we present a new efficient unsupervised method for feature selection based on sparse autoencoders. In particular, we propose a new sparse training algorithm that optimizes a model's sparse topology during training to pay attention to informative features quickly. The attention-based adaptation of the sparse topology enables fast detection of informative features after a few training iterations. We performed extensive experiments on 10 datasets of different types, including image, speech, text, artificial, and biological. They cover a wide range of characteristics, such as low and high-dimensional feature spaces, and few and large training samples. Our proposed approach outperforms the state-of-the-art methods in terms of selecting informative features while reducing training iterations and computational costs substantially. Moreover, the experiments show the robustness of our method in extremely noisy environments.

Graph Neural Networks (GNNs) are able to achieve high classification accuracy on many large real world datasets, but provide no rigorous notion of predictive uncertainty. We leverage recent advances in conformal prediction to construct prediction sets for node classification in inductive learning scenarios, and verify the efficacy of our approach across standard benchmark datasets using popular GNN models. The code is available at \href{https://github.com/jase-clarkson/graph_cp}{this link}.

We argue that many properties of fully-connected feedforward neural networks (FCNNs), also called multi-layer perceptrons (MLPs), are explainable from the analysis of a single pair of operations, namely a random projection into a higher-dimensional space than the input, followed by a sparsification operation. For convenience, we call this pair of successive operations expand-and-sparsify following the terminology of Dasgupta. We show how expand-and-sparsify can explain the observed phenomena that have been discussed in the literature, such as the so-called Lottery Ticket Hypothesis, the surprisingly good performance of randomly-initialized untrained neural networks, the efficacy of Dropout in training and most importantly, the mysterious generalization ability of overparameterized models, first highlighted by Zhang et al. and subsequently identified even in non-neural network models by Belkin et al.

Accelerated MRI reconstructs images of clinical anatomies from sparsely sampled signal data to reduce patient scan times. While recent works have leveraged deep learning to accomplish this task, such approaches have often only been explored in simulated environments where there is no signal corruption or resource limitations. In this work, we explore augmentations to neural network MRI image reconstructors to enhance their clinical relevancy. Namely, we propose a ConvNet model for detecting sources of image artifacts that achieves a classifier $F_2$ score of 79.1%. We also demonstrate that training reconstructors on MR signal data with variable acceleration factors can improve their average performance during a clinical patient scan by up to 2%. We offer a loss function to overcome catastrophic forgetting when models learn to reconstruct MR images of multiple anatomies and orientations. Finally, we propose a method for using simulated phantom data to pre-train reconstructors in situations with limited clinically acquired datasets and compute capabilities. Our results provide a potential path forward for clinical adaptation of accelerated MRI.

We study the problem of out-of-distribution (o.o.d.) generalization where spurious correlations of attributes vary across training and test domains. This is known as the problem of correlation shift and has posed concerns on the reliability of machine learning. In this work, we introduce the concepts of direct and indirect effects from causal inference to the domain generalization problem. We argue that models that learn direct effects minimize the worst-case risk across correlation-shifted domains. To eliminate the indirect effects, our algorithm consists of two stages: in the first stage, we learn an indirect-effect representation by minimizing the prediction error of domain labels using the representation and the class label; in the second stage, we remove the indirect effects learned in the first stage by matching each data with another data of similar indirect-effect representation but of different class label. We also propose a new model selection method by matching the validation set in the same way, which is shown to improve the generalization performance of existing models on correlation-shifted datasets. Experiments on 5 correlation-shifted datasets and the DomainBed benchmark verify the effectiveness of our approach.

Whereas MRI produces anatomic information about the brain, functional MRI (fMRI) tells us about neural activity within the brain, including how various regions communicate with each other. The full chorus of conversations within the brain is summarized elegantly in the adjacency matrix. Although information-rich, adjacency matrices typically provide little in the way of intuition. Whereas trained radiologists viewing anatomic MRI can readily distinguish between different kinds of brain cancer, a similar determination using adjacency matrices would exceed any expert's grasp. Artificial intelligence (AI) in radiology usually analyzes anatomic imaging, providing assistance to radiologists. For non-intuitive data types such as adjacency matrices, AI moves beyond the role of helpful assistant, emerging as indispensible. We sought here to show that AI can learn to discern between two important brain tumor types, high-grade glioma (HGG) and low-grade glioma (LGG), based on adjacency matrices. We trained a convolutional neural networks (CNN) with the method of deep neuroevolution (DNE), because of the latter's recent promising results; DNE has produced remarkably accurate CNNs even when relying on small and noisy training sets, or performing nuanced tasks. After training on just 30 adjacency matrices, our CNN could tell HGG apart from LGG with perfect testing set accuracy. Saliency maps revealed that the network learned highly sophisticated and complex features to achieve its success. Hence, we have shown that it is possible for AI to recognize brain tumor type from functional connectivity. In future work, we will apply DNE to other noisy and somewhat cryptic forms of medical data, including further explorations with fMRI.

We propose a geometric scattering-based graph neural network (GNN) for approximating solutions of the NP-hard maximum clique (MC) problem. We construct a loss function with two terms, one which encourages the network to find highly connected nodes and the other which acts as a surrogate for the constraint that the nodes form a clique. We then use this loss to train an efficient GNN architecture that outputs a vector representing the probability for each node to be part of the MC and apply a rule-based decoder to make our final prediction. The incorporation of the scattering transform alleviates the so-called oversmoothing problem that is often encountered in GNNs and would degrade the performance of our proposed setup. Our empirical results demonstrate that our method outperforms representative GNN baselines in terms of solution accuracy and inference speed as well as conventional solvers like Gurobi with limited time budgets. Furthermore, our scattering model is very parameter efficient with only $\sim$ 0.1\% of the number of parameters compared to previous GNN baseline models.

Big data mining is well known to be an important task for data science, because it can provide useful observations and new knowledge hidden in given large datasets. Proximity-based data analysis is particularly utilized in many real-life applications. In such analysis, the distances to k nearest neighbors are usually employed, thus its main bottleneck is derived from data retrieval. Much efforts have been made to improve the efficiency of these analyses. However, they still incur large costs, because they essentially need many data accesses. To avoid this issue, we propose a machine-learning technique that quickly and accurately estimates the k-NN distances (i.e., distances to the k nearest neighbors) of a given query. We train a fully connected neural network model and utilize pivots to achieve accurate estimation. Our model is designed to have useful advantages: it infers distances to the k-NNs at a time, its inference time is O(1) (no data accesses are incurred), but it keeps high accuracy. Our experimental results and case studies on real datasets demonstrate the efficiency and effectiveness of our solution.

Unlike existing knowledge distillation methods focus on the baseline settings, where the teacher models and training strategies are not that strong and competing as state-of-the-art approaches, this paper presents a method dubbed DIST to distill better from a stronger teacher. We empirically find that the discrepancy of predictions between the student and a stronger teacher may tend to be fairly severer. As a result, the exact match of predictions in KL divergence would disturb the training and make existing methods perform poorly. In this paper, we show that simply preserving the relations between the predictions of teacher and student would suffice, and propose a correlation-based loss to capture the intrinsic inter-class relations from the teacher explicitly. Besides, considering that different instances have different semantic similarities to each class, we also extend this relational match to the intra-class level. Our method is simple yet practical, and extensive experiments demonstrate that it adapts well to various architectures, model sizes and training strategies, and can achieve state-of-the-art performance consistently on image classification, object detection, and semantic segmentation tasks. Code is available at: https://github.com/hunto/DIST_KD .

In biomanufacturing, developing an accurate model to simulate the complex dynamics of bioprocesses is an important yet challenging task. This is partially due to the uncertainty associated with bioprocesses, high data acquisition cost, and lack of data availability to learn complex relations in bioprocesses. To deal with these challenges, we propose to use a statistical machine learning approach, multi-fidelity Gaussian process, for process modelling in biomanufacturing. Gaussian process regression is a well-established technique based on probability theory which can naturally consider uncertainty in a dataset via Gaussian noise, and multi-fidelity techniques can make use of multiple sources of information with different levels of fidelity, thus suitable for bioprocess modeling with small data. We apply the multi-fidelity Gaussian process to solve two significant problems in biomanufacturing, bioreactor scale-up and knowledge transfer across cell lines, and demonstrate its efficacy on real-world datasets.

We propose a novel, succinct, and effective approach to quantify uncertainty in machine learning. It incorporates adaptively flexible distribution prediction for $\mathbb{P}(\mathbf{y}|\mathbf{X}=x)$ in regression tasks. For predicting this conditional distribution, its quantiles of probability levels spreading the interval $(0,1)$ are boosted by additive models which are designed by us with intuitions and interpretability. We seek an adaptive balance between the structural integrity and the flexibility for $\mathbb{P}(\mathbf{y}|\mathbf{X}=x)$, while Gaussian assumption results in a lack of flexibility for real data and highly flexible approaches (e.g., estimating the quantiles separately without a distribution structure) inevitably have drawbacks and may not lead to good generalization. This ensemble multi-quantiles approach called EMQ proposed by us is totally data-driven, and can gradually depart from Gaussian and discover the optimal conditional distribution in the boosting. On extensive regression tasks from UCI datasets, we show that EMQ achieves state-of-the-art performance comparing to many recent uncertainty quantification methods including Gaussian assumption-based, Bayesian methods, quantile regression-based, and traditional tree models, under the metrics of calibration, sharpness, and tail-side calibration. Visualization results show what we actually learn from the real data and how, illustrating the necessity and the merits of such an ensemble model.

The original "Seven Motifs" set forth a roadmap of essential methods for the field of scientific computing, where a motif is an algorithmic method that captures a pattern of computation and data movement. We present the "Nine Motifs of Simulation Intelligence", a roadmap for the development and integration of the essential algorithms necessary for a merger of scientific computing, scientific simulation, and artificial intelligence. We call this merger simulation intelligence (SI), for short. We argue the motifs of simulation intelligence are interconnected and interdependent, much like the components within the layers of an operating system. Using this metaphor, we explore the nature of each layer of the simulation intelligence operating system stack (SI-stack) and the motifs therein: (1) Multi-physics and multi-scale modeling; (2) Surrogate modeling and emulation; (3) Simulation-based inference; (4) Causal modeling and inference; (5) Agent-based modeling; (6) Probabilistic programming; (7) Differentiable programming; (8) Open-ended optimization; (9) Machine programming. We believe coordinated efforts between motifs offers immense opportunity to accelerate scientific discovery, from solving inverse problems in synthetic biology and climate science, to directing nuclear energy experiments and predicting emergent behavior in socioeconomic settings. We elaborate on each layer of the SI-stack, detailing the state-of-art methods, presenting examples to highlight challenges and opportunities, and advocating for specific ways to advance the motifs and the synergies from their combinations. Advancing and integrating these technologies can enable a robust and efficient hypothesis-simulation-analysis type of scientific method, which we introduce with several use-cases for human-machine teaming and automated science.

Data is a crucial infrastructure to how artificial intelligence (AI) systems learn. However, these systems to date have been largely model-centric, putting a premium on the model at the expense of the data quality. Data quality issues beset the performance of AI systems, particularly in downstream deployments and in real-world applications. Data-centric AI (DCAI) as an emerging concept brings data, its quality and its dynamism to the forefront in considerations of AI systems through an iterative and systematic approach. As one of the first overviews, this article brings together data-centric perspectives and concepts to outline the foundations of DCAI. It specifically formulates six guiding principles for researchers and practitioners and gives direction for future advancement of DCAI.

Semantic communication is viewed as a revolutionary paradigm that can potentially transform how we design and operate wireless communication systems. However, despite a recent surge of research activities in this area, the research landscape remains limited. In this tutorial, we present the first rigorous vision of a scalable end-to-end semantic communication network that is founded on novel concepts from artificial intelligence (AI), causal reasoning, and communication theory. We first discuss how the design of semantic communication networks requires a move from data-driven networks towards knowledge-driven ones. Subsequently, we highlight the necessity of creating semantic representations of data that satisfy the key properties of minimalism, generalizability, and efficiency so as to do more with less. We then explain how those representations can form the basis a so-called semantic language. By using semantic representation and languages, we show that the traditional transmitter and receiver now become a teacher and apprentice. Then, we define the concept of reasoning by investigating the fundamentals of causal representation learning and their role in designing semantic communication networks. We demonstrate that reasoning faculties are majorly characterized by the ability to capture causal and associational relationships in datastreams. For such reasoning-driven networks, we propose novel and essential semantic communication metrics that include new "reasoning capacity" measures that could go beyond Shannon's bound to capture the convergence of computing and communication. Finally, we explain how semantic communications can be scaled to large-scale networks (6G and beyond). In a nutshell, we expect this tutorial to provide a comprehensive reference on how to properly build, analyze, and deploy future semantic communication networks.

This paper describes an entropy regularization term for vector quantization (VQ) based on the analysis of persistent homology of the VQ embeddings. Higher embedding entropy positively correlates with higher codebook utilization, mitigating overfit towards the identity and codebook collapse in VQ-based autoencoders [1]. We show that homology-constrained regularization is an effective way to increase entropy of the VQ process (approximated to input entropy) while preserving the approximated topology in the quantized latent space, averaged over mini batches. This work further explores some patterns of persistent homology diagrams of latents formed by vector quantization. We implement and test the proposed algorithm as a module integrated into a sample VQ-VAE. Linked code repository provides a functioning implementation of the proposed architecture, referred to as homology-constrained vector quantization (HC-VQ) further in this work.

Semantic editing of images is the fundamental goal of computer vision. Although deep learning methods, such as generative adversarial networks (GANs), are capable of producing high-quality images, they often do not have an inherent way of editing generated images semantically. Recent studies have investigated a way of manipulating the latent variable to determine the images to be generated. However, methods that assume linear semantic arithmetic have certain limitations in terms of the quality of image editing, whereas methods that discover nonlinear semantic pathways provide non-commutative editing, which is inconsistent when applied in different orders. This study proposes a novel method called deep curvilinear editing (DeCurvEd) to determine semantic commuting vector fields on the latent space. We theoretically demonstrate that owing to commutativity, the editing of multiple attributes depends only on the quantities and not on the order. Furthermore, we experimentally demonstrate that compared to previous methods, the nonlinear and commutative nature of DeCurvEd facilitates the disentanglement of image attributes and provides higher-quality editing.

Transformations in the input space of Deep Neural Networks (DNN) lead to unintended changes in the feature space. Almost perceptually identical inputs, such as adversarial examples, can have significantly distant feature representations. On the contrary, Out-of-Distribution (OOD) samples can have highly similar feature representations to training set samples. Our theoretical analysis for DNNs trained with a categorical classification head suggests that the inflexible logit space restricted by the classification problem size is one of the root causes for the lack of $\textit{robustness}$. Our second observation is that DNNs over-fit to the training augmentation technique and do not learn $\textit{nuance invariant}$ representations. Inspired by the recent success of prototypical and contrastive learning frameworks for both improving robustness and learning nuance invariant representations, we propose a training framework, $\textbf{Supervised Contrastive Prototype Learning}$ (SCPL). We use N-pair contrastive loss with prototypes of the same and opposite classes and replace a categorical classification head with a $\textbf{Prototype Classification Head}$ (PCH). Our approach is $\textit{sample efficient}$, does not require $\textit{sample mining}$, can be implemented on any existing DNN without modification to their architecture, and combined with other training augmentation techniques. We empirically evaluate the $\textbf{clean}$ robustness of our method on out-of-distribution and adversarial samples. Our framework outperforms other state-of-the-art contrastive and prototype learning approaches in $\textit{robustness}$.

Deep reinforcement learning (DRL) is one of the most popular algorithms to realize an autonomous driving (AD) system. The key success factor of DRL is that it embraces the perception capability of deep neural networks which, however, have been proven vulnerable to Trojan attacks. Trojan attacks have been widely explored in supervised learning (SL) tasks (e.g., image classification), but rarely in sequential decision-making tasks solved by DRL. Hence, in this paper, we explore Trojan attacks on DRL for AD tasks. First, we propose a spatio-temporal DRL algorithm based on the recurrent neural network and attention mechanism to prove that capturing spatio-temporal traffic features is the key factor to the effectiveness and safety of a DRL-augment AD system. We then design a spatial-temporal Trojan attack on DRL policies, where the trigger is hidden in a sequence of spatial and temporal traffic features, rather than a single instant state used in existing Trojan on SL and DRL tasks. With our Trojan, the adversary acts as a surrounding normal vehicle and can trigger attacks via specific spatial-temporal driving behaviors, rather than physical or wireless access. Through extensive experiments, we show that while capturing spatio-temporal traffic features can improve the performance of DRL for different AD tasks, they suffer from Trojan attacks since our designed Trojan shows high stealthy (various spatio-temporal trigger patterns), effective (less than 3.1\% performance variance rate and more than 98.5\% attack success rate), and sustainable to existing advanced defenses.

As an important data selection schema, active learning emerges as the essential component when iterating an Artificial Intelligence (AI) model. It becomes even more critical given the dominance of deep neural network based models, which are composed of a large number of parameters and data hungry, in application. Despite its indispensable role for developing AI models, research on active learning is not as intensive as other research directions. In this paper, we present a review of active learning through deep active learning approaches from the following perspectives: 1) technical advancements in active learning, 2) applications of active learning in computer vision, 3) industrial systems leveraging or with potential to leverage active learning for data iteration, 4) current limitations and future research directions. We expect this paper to clarify the significance of active learning in a modern AI model manufacturing process and to bring additional research attention to active learning. By addressing data automation challenges and coping with automated machine learning systems, active learning will facilitate democratization of AI technologies by boosting model production at scale.

Bitcoin is one of the decentralized cryptocurrencies powered by a peer-to-peer blockchain network. Parties who trade in the bitcoin network are not required to disclose any personal information. Such property of anonymity, however, precipitates potential malicious transactions to a certain extent. Indeed, various illegal activities such as money laundering, dark network trading, and gambling in the bitcoin network are nothing new now. While a proliferation of work has been developed to identify malicious bitcoin transactions, the behavior analysis and classification of bitcoin addresses are largely overlooked by existing tools. In this paper, we propose BAClassifier, a tool that can automatically classify bitcoin addresses based on their behaviors. Technically, we come up with the following three key designs. First, we consider casting the transactions of the bitcoin address into an address graph structure, of which we introduce a graph node compression technique and a graph structure augmentation method to characterize a unified graph representation. Furthermore, we leverage a graph feature network to learn the graph representations of each address and generate the graph embeddings. Finally, we aggregate all graph embeddings of an address into the address-level representation, and engage in a classification model to give the address behavior classification. As a side contribution, we construct and release a large-scale annotated dataset that consists of over 2 million real-world bitcoin addresses and concerns 4 types of address behaviors. Experimental results demonstrate that our proposed framework outperforms state-of-the-art bitcoin address classifiers and existing classification models, where the precision and F1-score are 96% and 95%, respectively. Our implementation and dataset are released, hoping to inspire others.

We introduce the concepts of inverse solvability and security for a generic linear forward model and demonstrate how they can be applied to models used in federated learning. We provide examples of such models which differ in the resulting inverse solvability and security as defined in this paper. We also show how the large number of users participating in a given iteration of federated learning can be leveraged to increase both solvability and security. Finally, we discuss possible extensions of the presented concepts including the nonlinear case.

Neural networks with sinusoidal activations have been proposed as an alternative to networks with traditional activation functions. Despite their promise, particularly for learning implicit models, their training behavior is not yet fully understood, leading to a number of empirical design choices that are not well justified. In this work, we first propose a simplified version of such sinusoidal neural networks, which allows both for easier practical implementation and simpler theoretical analysis. We then analyze the behavior of these networks from the neural tangent kernel perspective and demonstrate that their kernel approximates a low-pass filter with an adjustable bandwidth. Finally, we utilize these insights to inform the sinusoidal network initialization, optimizing their performance for each of a series of tasks, including learning implicit models and solving differential equations.

Insider threats are a growing concern for organizations due to the amount of damage that their members can inflict by combining their privileged access and domain knowledge. Nonetheless, the detection of such threats is challenging, precisely because of the ability of the authorized personnel to easily conduct malicious actions and because of the immense size and diversity of audit data produced by organizations in which the few malicious footprints are hidden. In this paper, we propose an unsupervised insider threat detection system based on audit data using Bayesian Gaussian Mixture Models. The proposed approach leverages a user-based model to optimize specific behaviors modelization and an automatic feature extraction system based on Word2Vec for ease of use in a real-life scenario. The solution distinguishes itself by not requiring data balancing nor to be trained only on normal instances, and by its little domain knowledge required to implement. Still, results indicate that the proposed method competes with state-of-the-art approaches, presenting a good recall of 88\%, accuracy and true negative rate of 93%, and a false positive rate of 6.9%. For our experiments, we used the benchmark dataset CERT version 4.2.

Deep neural networks for computer vision are deployed in increasingly safety-critical and socially-impactful applications, motivating the need to close the gap in model performance under varied, naturally occurring imaging conditions. Robustness, ambiguously used in multiple contexts including adversarial machine learning, refers here to preserving model performance under naturally-induced image corruptions or alterations. We perform a systematic review to identify, analyze, and summarize current definitions and progress towards non-adversarial robustness in deep learning for computer vision. We find this area of research has received disproportionately less attention relative to adversarial machine learning, yet a significant robustness gap exists that manifests in performance degradation similar in magnitude to adversarial conditions. Toward developing a more transparent definition of robustness, we provide a conceptual framework based on a structural causal model of the data generating process and interpret non-adversarial robustness as pertaining to a model's behavior on corrupted images corresponding to low-probability samples from the unaltered data distribution. We identify key architecture-, data augmentation-, and optimization tactics for improving neural network robustness. This robustness perspective reveals that common practices in the literature correspond to causal concepts. We offer perspectives on how future research may mind this evident and significant non-adversarial robustness gap.

The goal of expressive Text-to-speech (TTS) is to synthesize natural speech with desired content, prosody, emotion, or timbre, in high expressiveness. Most of previous studies attempt to generate speech from given labels of styles and emotions, which over-simplifies the problem by classifying styles and emotions into a fixed number of pre-defined categories. In this paper, we introduce a new task setting, Contextual TTS (CTTS). The main idea of CTTS is that how a person speaks depends on the particular context she is in, where the context can typically be represented as text. Thus, in the CTTS task, we propose to utilize such context to guide the speech synthesis process instead of relying on explicit labels of styles and emotions. To achieve this task, we construct a synthetic dataset and develop an effective framework. Experiments show that our framework can generate high-quality expressive speech based on the given context both in synthetic datasets and real-world scenarios.

We propose a series of computationally efficient nonparametric tests for the two-sample, independence, and goodness-of-fit problems, using the Maximum Mean Discrepancy (MMD), Hilbert Schmidt Independence Criterion (HSIC), and Kernel Stein Discrepancy (KSD), respectively. Our test statistics are incomplete $U$-statistics, with a computational cost that interpolates between linear time in the number of samples, and quadratic time, as associated with classical $U$-statistic tests. The three proposed tests aggregate over several kernel bandwidths to detect departures from the null on various scales: we call the resulting tests MMDAggInc, HSICAggInc and KSDAggInc. This procedure provides a solution to the fundamental kernel selection problem as we can aggregate a large number of kernels with several bandwidths without incurring a significant loss of test power. For the test thresholds, we derive a quantile bound for wild bootstrapped incomplete $U$-statistics, which is of independent interest. We derive non-asymptotic uniform separation rates for MMDAggInc and HSICAggInc, and quantify exactly the trade-off between computational efficiency and the attainable rates: this result is novel for tests based on incomplete $U$-statistics, to our knowledge. We further show that in the quadratic-time case, the wild bootstrap incurs no penalty to test power over the more widespread permutation-based approach, since both attain the same minimax optimal rates (which in turn match the rates that use oracle quantiles). We support our claims with numerical experiments on the trade-off between computational efficiency and test power. In all three testing frameworks, the linear-time versions of our proposed tests perform at least as well as the current linear-time state-of-the-art tests.

Finding the optimum path for a robot for moving from start to the goal position through obstacles is still a challenging issue. This paper presents a novel path planning method, named D-point trigonometric, based on Q-learning algorithm for dynamic and uncertain environments, in which all the obstacles and the target are moving. We define a new state, action and reward functions for the Q-learning by which the agent can find the best action in every state to reach the goal in the most appropriate path. The D-point approach minimizes the possible number of states. Moreover, the experiments in Unity3D confirmed the high convergence speed, the high hit rate, as well as the low dependency on environmental parameters of the proposed method compared with an opponent approach.

Face recognition algorithms, when used in the real world, can be very useful, but they can also be dangerous when biased toward certain demographics. So, it is essential to understand how these algorithms are trained and what factors affect their accuracy and fairness to build better ones. In this study, we shed some light on the effect of racial distribution in the training data on the performance of face recognition models. We conduct 16 different experiments with varying racial distributions of faces in the training data. We analyze these trained models using accuracy metrics, clustering metrics, UMAP projections, face quality, and decision thresholds. We show that a uniform distribution of races in the training datasets alone does not guarantee bias-free face recognition algorithms and how factors like face image quality play a crucial role. We also study the correlation between the clustering metrics and bias to understand whether clustering is a good indicator of bias. Finally, we introduce a metric called racial gradation to study the inter and intra race correlation in facial features and how they affect the learning ability of the face recognition models. With this study, we try to bring more understanding to an essential element of face recognition training, the data. A better understanding of the impact of training data on the bias of face recognition algorithms will aid in creating better datasets and, in turn, better face recognition systems.

Transfer learning has become an essential technique to exploit information from the source domain to boost performance of the target task. Despite the prevalence in high-dimensional data, heterogeneity and/or heavy tails tend to be discounted in current transfer learning approaches and thus may undermine the resulting performance. We propose a transfer learning procedure in the framework of high-dimensional quantile regression models to accommodate the heterogeneity and heavy tails in the source and target domains. We establish error bounds of the transfer learning estimator based on delicately selected transferable source domains, showing that lower error bounds can be achieved for critical selection criterion and larger sample size of source tasks. We further propose valid confidence interval and hypothesis test procedures for individual component of quantile regression coefficients by advocating a one-step debiased estimator of transfer learning estimator wherein the consistent variance estimation is proposed via the technique of transfer learning again. Simulation results demonstrate that the proposed method exhibits some favorable performances.

We propose an efficient design of Transformer-based models for multivariate time series forecasting and self-supervised representation learning. It is based on two key components: (i) segmentation of time series into subseries-level patches which are served as input tokens to Transformer; (ii) channel-independence where each channel contains a single univariate time series that shares the same embedding and Transformer weights across all the series. Patching design naturally has three-fold benefit: local semantic information is retained in the embedding; computation and memory usage of the attention maps are quadratically reduced given the same look-back window; and the model can attend longer history. Our channel-independent patch time series Transformer (PatchTST) can improve the long-term forecasting accuracy significantly when compared with that of SOTA Transformer-based models. We also apply our model to self-supervised pre-training tasks and attain excellent fine-tuning performance, which outperforms supervised training on large datasets. Transferring of masked pre-trained representation on one dataset to others also produces SOTA forecasting accuracy. Code is available at: https://github.com/yuqinie98/PatchTST.

The generative adversarial networks (GANs) have recently been applied to estimating the distribution of independent and identically distributed data, and got excellent performances. In this paper, we use the blocking technique to demonstrate the effectiveness of GANs for estimating the distribution of stationary time series. Theoretically, we obtain a non-asymptotic error bound for the Deep Neural Network (DNN)-based GANs estimator for the stationary distribution of the time series. Based on our theoretical analysis, we put forward an algorithm for detecting the change-point in time series. We simulate in our first experiment a stationary time series by the multivariate autoregressive model to test our GAN estimator, while the second experiment is to use our proposed algorithm to detect the change-point in a time series sequence. Both perform very well. The third experiment is to use our GAN estimator to learn the distribution of a real financial time series data, which is not stationary, we can see from the experiment results that our estimator cannot match the distribution of the time series very well but give the right changing tendency.

Transferring knowledge across domains is one of the most fundamental problems in machine learning, but doing so effectively in the context of reinforcement learning remains largely an open problem. Current methods make strong assumptions on the specifics of the task, often lack principled objectives, and -- crucially -- modify individual policies, which might be sub-optimal when the domains differ due to a drift in the state space, i.e., it is intrinsic to the environment and therefore affects every agent interacting with it. To address these drawbacks, we propose TvD: transfer via distribution matching, a framework to transfer knowledge across interactive domains. We approach the problem from a data-centric perspective, characterizing the discrepancy in environments by means of (potentially complex) transformation between their state spaces, and thus posing the problem of transfer as learning to undo this transformation. To accomplish this, we introduce a novel optimization objective based on an optimal transport distance between two distributions over trajectories -- those generated by an already-learned policy in the source domain and a learnable pushforward policy in the target domain. We show this objective leads to a policy update scheme reminiscent of imitation learning, and derive an efficient algorithm to implement it. Our experiments in simple gridworlds show that this method yields successful transfer learning across a wide range of environment transformations.

Handwriting recognition is one of the desirable attributes of document comprehension and analysis. It is concerned with the documents writing style and characteristics that distinguish the authors. The diversity of text images, notably in images with varying handwriting, makes the process of learning good features difficult in cases where little data is available. In this paper, we propose a novel scheme to identify the author of a document based on the input word image. Our method is text independent and does not impose any constraint on the size of the input image under examination. To begin with, we detect crucial components in handwriting and extract regions surrounding them using Scale Invariant Feature Transform (SIFT). These patches are designed to capture individual writing features (including allographs, characters, or combinations of characters) that are likely to be unique for an individual writer. These features are then passed through a deep Convolutional Neural Network (CNN) in which the weights are learned by applying the concept of Similarity learning using Siamese network. Siamese network enhances the discrimination power of CNN by mapping similarity between different pairs of input image. Features learned at different scales of the extracted SIFT key-points are encoded using Sparse PCA, each components of the Sparse PCA is assigned a saliency score signifying its level of significance in discriminating different writers effectively. Finally, the weighted Sparse PCA corresponding to each SIFT key-points is combined to arrive at a final classification score for each writer. The proposed algorithm was evaluated on two publicly available databases (namely IAM and CVL) and is able to achieve promising result, when compared with other deep learning based algorithm.

Although disentangled representations are often said to be beneficial for downstream tasks, current empirical and theoretical understanding is limited. In this work, we provide evidence that disentangled representations coupled with sparse base-predictors improve generalization. In the context of multi-task learning, we prove a new identifiability result that provides conditions under which maximally sparse base-predictors yield disentangled representations. Motivated by this theoretical result, we propose a practical approach to learn disentangled representations based on a sparsity-promoting bi-level optimization problem. Finally, we explore a meta-learning version of this algorithm based on group Lasso multiclass SVM base-predictors, for which we derive a tractable dual formulation. It obtains competitive results on standard few-shot classification benchmarks, while each task is using only a fraction of the learned representations.

The automatic generation of Chinese fonts is an important problem involved in many applications. The predominated methods for the Chinese font generation are based on the deep generative models, especially the generative adversarial networks (GANs). However, existing GAN-based methods (say, CycleGAN) for the Chinese font generation usually suffer from the mode collapse issue, mainly due to the lack of effective guidance information. This paper proposes a novel information guidance module called the skeleton guided channel expansion (SGCE) module for the Chinese font generation through integrating the skeleton information into the generator with the channel expansion way, motivated by the observation that the skeleton embodies both local and global structure information of Chinese characters. We conduct extensive experiments to show the effectiveness of the proposed module. Numerical results show that the mode collapse issue suffered by the known CycleGAN can be effectively alleviated by equipping with the proposed SGCE module, and the CycleGAN equipped with SGCE outperforms the state-of-the-art models in terms of four important evaluation metrics and visualization quality. Besides CycleGAN, we also show that the suggested SGCE module can be adapted to other models for Chinese font generation as a plug-and-play module to further improve their performance.

Most existing fuzzy set methods use points as their input, which is the finest granularity from the perspective of granular computing. Consequently, these methods are neither efficient nor robust to label noise. Therefore, we propose a frame-work called granular-ball fuzzy set by introducing granular-ball computing into fuzzy set. The computational framework is based on the granular-balls input rather than points; therefore, it is more efficient and robust than traditional fuzzy methods, and can be used in various fields of fuzzy data processing according to its extensibility. Furthermore, the framework is extended to the classifier fuzzy support vector machine (FSVM), to derive the granular ball fuzzy SVM (GBFSVM). The experimental results demonstrate the effectiveness and efficiency of GBFSVM.

The monolingual Hindi BERT models currently available on the model hub do not perform better than the multi-lingual models on downstream tasks. We present L3Cube-HindBERT, a Hindi BERT model pre-trained on Hindi monolingual corpus. Further, since Indic languages, Hindi and Marathi share the Devanagari script, we train a single model for both languages. We release DevBERT, a Devanagari BERT model trained on both Marathi and Hindi monolingual datasets. We evaluate these models on downstream Hindi and Marathi text classification and named entity recognition tasks. The HindBERT and DevBERT-based models show superior performance compared to their multi-lingual counterparts. These models are shared at https://huggingface.co/l3cube-pune .

We propose and show the efficacy of a new method to address generic inverse problems. Inverse modeling is the task whereby one seeks to determine the control parameters of a natural system that produce a given set of observed measurements. Recent work has shown impressive results using deep learning, but we note that there is a trade-off between model performance and computational time. For some applications, the computational time at inference for the best performing inverse modeling method may be overly prohibitive to its use. We present a new method that leverages multiple manifolds as a mixture of backward (e.g., inverse) models in a forward-backward model architecture. These multiple backwards models all share a common forward model, and their training is mitigated by generating training examples from the forward model. The proposed method thus has two innovations: 1) the multiple Manifold Mixture Network (MMN) architecture, and 2) the training procedure involving augmenting backward model training data using the forward model. We demonstrate the advantages of our method by comparing to several baselines on four benchmark inverse problems, and we furthermore provide analysis to motivate its design.

The actual wind speed data suffers from the intermittent and fluctuating property, which implies that it is very difficult to forecast wind speed with high accuracy by applying single or shallow models. Hence, with the purpose of improving the forecasting accuracy and obtain better forecasting results, in this paper, a novel hybrid deep learning model is proposed for multistep forecasting of wind speed, which is intuitively abbreviated as LR-FFT-RP-LSTM and LR-FFT-RP-LSTM. Under these formulated model, the rankpooling method is firstly presented to extract local features of the raw meteorological data, and the Fast Fourier Transformation (FFT) is adopted to extract local and global features of the raw meteorological data to obtain pre-processed data, and the data obtained is then integrated with the original data using the two procedures to produce two input datasets. Then, deep learning model named multi-layer perceptron method (MLP) and long short-term memory (LSTM) are adopted to predict the wind speed dataset. The target prediction results are then obtained by integrating the preliminary prediction findings using the linear regression method.Practical wind speed data from 2010 to 2020 are exploited to evaluate the performance of the proposed model. Case study results indicate that the proposed model for wind speed has a superior forecasting capability. Moreover, the proposed hybrid model is very competitive compared to the state-of-the-art single model and other hybrid models involved in this paper.

The people in the world who are hearing impaired face many obstacles in communication and require an interpreter to comprehend what a person is saying. There has been constant scientific research and the existing models lack the ability to make accurate predictions. So we propose a deep learning model trained on the ASL i.e. American Sign Language which will take action in the form of American Sign Language as input and translate it into text. To achieve the former a Convolution Neural Network based VGG16 architecture is used as well as a TensorFlow model for image classification and we have improved the accuracy of the latter by over 4%. There has been an improvement in accuracy from 94% of CNN to 98.7% by Transfer Learning. An application with the deep learning model integrated has also been built.

Knowledge graph data are prevalent in real-world applications, and knowledge graph neural networks (KGNNs) are essential techniques for knowledge graph representation learning. Although KGNN effectively models the structural information from knowledge graphs, these frameworks amplify the underlying data bias that leads to discrimination towards certain groups or individuals in resulting applications. Additionally, as existing debiasing approaches mainly focus on the entity-wise bias, eliminating the multi-hop relational bias that pervasively exists in knowledge graphs remains an open question. However, it is very challenging to eliminate relational bias due to the sparsity of the paths that generate the bias and the non-linear proximity structure of knowledge graphs. To tackle the challenges, we propose Fair-KGNN, a KGNN framework that simultaneously alleviates multi-hop bias and preserves the proximity information of entity-to-relation in knowledge graphs. The proposed framework is generalizable to mitigate the relational bias for all types of KGNN. We develop two instances of Fair-KGNN incorporating with two state-of-the-art KGNN models, RGCN and CompGCN, to mitigate gender-occupation and nationality-salary bias. The experiments carried out on three benchmark knowledge graph datasets demonstrate that the Fair-KGNN can effectively mitigate unfair situations during representation learning while preserving the predictive performance of KGNN models.

This paper presents an ensemble forecasting method that shows strong results on the M4 Competition dataset by decreasing feature and model selection assumptions, termed DONUT (DO Not UTilize human beliefs). Our assumption reductions, primarily consisting of auto-generated features and a more diverse model pool for the ensemble, significantly outperform the statistical, feature-based ensemble method FFORMA by Montero-Manso et al. (2020). We also investigate feature extraction with a Long Short-term Memory Network (LSTM) Autoencoder and find that such features contain crucial information not captured by standard statistical feature approaches. The ensemble weighting model uses LSTM and statistical features to combine the models accurately. The analysis of feature importance and interaction shows a slight superiority for LSTM features over the statistical ones alone. Clustering analysis shows that essential LSTM features differ from most statistical features and each other. We also find that increasing the solution space of the weighting model by augmenting the ensemble with new models is something the weighting model learns to use, thus explaining part of the accuracy gains. Moreover, we present a formal ex-post-facto analysis of an optimal combination and selection for ensembles, quantifying differences through linear optimization on the M4 dataset. Our findings indicate that classical statistical time series features, such as trend and seasonality, alone do not capture all relevant information for forecasting a time series. On the contrary, our novel LSTM features contain significantly more predictive power than the statistical ones alone, but combining the two feature sets proved the best in practice.

Multiclass classification is of great interest for various applications, for example, it is a common task in computer vision, where one needs to categorize an image into three or more classes. Here we propose a quantum machine learning approach based on quantum convolutional neural networks for solving the multiclass classification problem. The corresponding learning procedure is implemented via TensorFlowQuantum as a hybrid quantum-classical (variational) model, where quantum output results are fed to the softmax activation function with the subsequent minimization of the cross entropy loss via optimizing the parameters of the quantum circuit. Our conceptional improvements here include a new model for a quantum perceptron and an optimized structure of the quantum circuit. We use the proposed approach to solve a 4-class classification problem for the case of the MNIST dataset using eight qubits for data encoding and four ancilla qubits; previous results have been obtained for 3-class classification problems. Our results show that accuracies of our solution are similar to classical convolutional neural networks with comparable numbers of trainable parameters. We expect that our finding provide a new step towards the use of quantum neural networks for solving relevant problems in the NISQ era and beyond.

Spectral analysis provides one of the most effective paradigms for information-preserving dimensionality reduction, as simple descriptions of naturally occurring signals are often obtained via few terms of periodic basis functions. In this work, we study deep neural networks designed to harness the structure in frequency domain for efficient learning of long-range correlations in space or time: frequency-domain models (FDMs). Existing FDMs are based on complex-valued transforms i.e. Fourier Transforms (FT), and layers that perform computation on the spectrum and input data separately. This design introduces considerable computational overhead: for each layer, a forward and inverse FT. Instead, this work introduces a blueprint for frequency domain learning through a single transform: transform once (T1). To enable efficient, direct learning in the frequency domain we derive a variance-preserving weight initialization scheme and investigate methods for frequency selection in reduced-order FDMs. Our results noticeably streamline the design process of FDMs, pruning redundant transforms, and leading to speedups of 3x to 10x that increase with data resolution and model size. We perform extensive experiments on learning the solution operator of spatio-temporal dynamics, including incompressible Navier-Stokes, turbulent flows around airfoils and high-resolution video of smoke. T1 models improve on the test performance of FDMs while requiring significantly less computation (5 hours instead of 32 for our large-scale experiment), with over 20% reduction in average predictive error across tasks.

Recently the Transformer structure has shown good performances in graph learning tasks. However, these Transformer models directly work on graph nodes and may have difficulties learning high-level information. Inspired by the vision transformer, which applies to image patches, we propose a new Transformer-based graph neural network: Patch Graph Transformer (PatchGT). Unlike previous transformer-based models for learning graph representations, PatchGT learns from non-trainable graph patches, not from nodes directly. It can help save computation and improve the model performance. The key idea is to segment a graph into patches based on spectral clustering without any trainable parameters, with which the model can first use GNN layers to learn patch-level representations and then use Transformer to obtain graph-level representations. The architecture leverages the spectral information of graphs and combines the strengths of GNNs and Transformers. Further, we show the limitations of previous hierarchical trainable clusters theoretically and empirically. We also prove the proposed non-trainable spectral clustering method is permutation invariant and can help address the information bottlenecks in the graph. PatchGT achieves higher expressiveness than 1-WL-type GNNs, and the empirical study shows that PatchGT achieves competitive performances on benchmark datasets and provides interpretability to its predictions. The implementation of our algorithm is released at our Github repo: https://github.com/tufts-ml/PatchGT.

Recent advancements in reinforcement learning algorithms have opened doors for researchers to operate and optimize building energy management systems autonomously. However, the lack of an easily configurable building dynamical model and energy management task simulation and evaluation platform has arguably slowed the progress in developing advanced and dedicated reinforcement learning (RL) and control algorithms for building operation tasks. Here we propose "BEAR", a physics-principled Building Environment for Control And Reinforcement Learning. The platform allows researchers to benchmark both model-based and model-free controllers using a broad collection of standard building models in Python without co-simulation using external building simulators. In this paper, we discuss the design of this platform and compare it with other existing building simulation frameworks. We demonstrate the compatibility and performance of BEAR with different controllers, including both model predictive control (MPC) and several state-of-the-art RL methods with two case studies.

Decision Transformer (DT) is a recently proposed architecture for Reinforcement Learning that frames the decision-making process as an auto-regressive sequence modeling problem and uses a Transformer model to predict the next action in a sequence of states, actions, and rewards. In this paper, we analyze how crucial the Transformer model is in the complete DT architecture on continuous control tasks. Namely, we replace the Transformer by an LSTM model while keeping the other parts unchanged to obtain what we call a Decision LSTM model. We compare it to DT on continuous control tasks, including pendulum swing-up and stabilization, in simulation and on physical hardware. Our experiments show that DT struggles with continuous control problems, such as inverted pendulum and Furuta pendulum stabilization. On the other hand, the proposed Decision LSTM is able to achieve expert-level performance on these tasks, in addition to learning a swing-up controller on the real system. These results suggest that the strength of the Decision Transformer for continuous control tasks may lie in the overall sequential modeling architecture and not in the Transformer per se.

In this work, we identify elements of effective machine learning datasets in astronomy and present suggestions for their design and creation. Machine learning has become an increasingly important tool for analyzing and understanding the large-scale flood of data in astronomy. To take advantage of these tools, datasets are required for training and testing. However, building machine learning datasets for astronomy can be challenging. Astronomical data is collected from instruments built to explore science questions in a traditional fashion rather than to conduct machine learning. Thus, it is often the case that raw data, or even downstream processed data is not in a form amenable to machine learning. We explore the construction of machine learning datasets and we ask: what elements define effective machine learning datasets? We define effective machine learning datasets in astronomy to be formed with well-defined data points, structure, and metadata. We discuss why these elements are important for astronomical applications and ways to put them in practice. We posit that these qualities not only make the data suitable for machine learning, they also help to foster usable, reusable, and replicable science practices.

This work introduces a novel interpretable machine learning method called Mixture of Decision Trees (MoDT). It constitutes a special case of the Mixture of Experts ensemble architecture, which utilizes a linear model as gating function and decision trees as experts. Our proposed method is ideally suited for problems that cannot be satisfactorily learned by a single decision tree, but which can alternatively be divided into subproblems. Each subproblem can then be learned well from a single decision tree. Therefore, MoDT can be considered as a method that improves performance while maintaining interpretability by making each of its decisions understandable and traceable to humans. Our work is accompanied by a Python implementation, which uses an interpretable gating function, a fast learning algorithm, and a direct interface to fine-tuned interpretable visualization methods. The experiments confirm that the implementation works and, more importantly, show the superiority of our approach compared to single decision trees and random forests of similar complexity.

Gaussian smoothing (GS) is a derivative-free optimization (DFO) algorithm that estimates the gradient of an objective using perturbations of the current parameters sampled from a standard normal distribution. We generalize it to sampling perturbations from a larger family of distributions. Based on an analysis of DFO for non-convex functions, we propose to choose a distribution for perturbations that minimizes the mean squared error (MSE) of the gradient estimate. We derive three such distributions with provably smaller MSE than Gaussian smoothing. We conduct evaluations of the three sampling distributions on linear regression, reinforcement learning, and DFO benchmarks in order to validate our claims. Our proposal improves on GS with the same computational complexity, and are usually competitive with and often outperform Guided ES and Orthogonal ES, two computationally more expensive algorithms that adapt the covariance matrix of normally distributed perturbations.

Time series data is being used everywhere, from sales records to patients' health evolution metrics. The ability to deal with this data has become a necessity, and time series analysis and forecasting are used for the same. Every Machine Learning enthusiast would consider these as very important tools, as they deepen the understanding of the characteristics of data. Forecasting is used to predict the value of a variable in the future, based on its past occurrences. A detailed survey of the various methods that are used for forecasting has been presented in this paper. The complete process of forecasting, from preprocessing to validation has also been explained thoroughly. Various statistical and deep learning models have been considered, notably, ARIMA, Prophet and LSTMs. Hybrid versions of Machine Learning models have also been explored and elucidated. Our work can be used by anyone to develop a good understanding of the forecasting process, and to identify various state of the art models which are being used today.

This technical report details VEX Robotics team BLRSAI's development of a fully autonomous robot for VEX Robotics' Tipping Point AI Competition. We identify and develop three separate critical components. This includes a Unity simulation and reinforcement learning model training pipeline, a malleable computer vision pipeline, and a data transfer pipeline to offload large computations from the VEX V5 Brain/micro-controller to an external computer. We give the community access to all of these components in hopes they can reuse and improve upon them in the future, and that it'll spark new ideas for autonomy as well as the necessary infrastructure and programs for AI in educational robotics.

In recent years, with the advent of highly scalable artificial-neural-network-based text representation methods the field of natural language processing has seen unprecedented growth and sophistication. It has become possible to distill complex linguistic information of text into multidimensional dense numeric vectors with the use of the distributional hypothesis. As a consequence, text representation methods have been evolving at such a quick pace that the research community is struggling to retain knowledge of the methods and their interrelations. We contribute threefold to this lack of compilation, composition, and systematization by providing a survey of current approaches, by arranging them in a genealogy, and by conceptualizing a taxonomy of text representation methods to examine and explain the state-of-the-art. Our research is a valuable guide and reference for artificial intelligence researchers and practitioners interested in natural language processing applications such as recommender systems, chatbots, and sentiment analysis.

Chromosome analysis is essential for diagnosing genetic disorders. For hematologic malignancies, identification of somatic clonal aberrations by karyotype analysis remains the standard of care. However, karyotyping is costly and time-consuming because of the largely manual process and the expertise required in identifying and annotating aberrations. Efforts to automate karyotype analysis to date fell short in aberration detection. Using a training set of ~10k patient specimens and ~50k karyograms from over 5 years from the Fred Hutchinson Cancer Center, we created a labeled set of images representing individual chromosomes. These individual chromosomes were used to train and assess deep learning models for classifying the 24 human chromosomes and identifying chromosomal aberrations. The top-accuracy models utilized the recently introduced Topological Vision Transformers (TopViTs) with 2-level-block-Toeplitz masking, to incorporate structural inductive bias. TopViT outperformed CNN (Inception) models with >99.3% accuracy for chromosome identification, and exhibited accuracies >99% for aberration detection in most aberrations. Notably, we were able to show high-quality performance even in "few shot" learning scenarios. Incorporating the definition of clonality substantially improved both precision and recall (sensitivity). When applied to "zero shot" scenarios, the model captured aberrations without training, with perfect precision at >50% recall. Together these results show that modern deep learning models can approach expert-level performance for chromosome aberration detection. To our knowledge, this is the first study demonstrating the downstream effectiveness of TopViTs. These results open up exciting opportunities for not only expediting patient results but providing a scalable technology for early screening of low-abundance chromosomal lesions.

Complex soft tissues, for example the knee meniscus, play a crucial role in mobility and joint health, but when damaged are incredibly difficult to repair and replace. This is due to their highly hierarchical and porous nature which in turn leads to their unique mechanical properties. In order to design tissue substitutes, the internal architecture of the native tissue needs to be understood and replicated. Here we explore a combined audio-visual approach - so called transperceptual - to generate artificial architectures mimicking the native ones. The proposed method uses both traditional imagery, and sound generated from each image as a method of rapidly comparing and contrasting the porosity and pore size within the samples. We have trained and tested a generative adversarial network (GAN) on the 2D image stacks. The impact of the training set of images on the similarity of the artificial to the original dataset was assessed by analyzing two samples. The first consisting of n=478 pairs of audio and image files for which the images were downsampled to 64 $\times$ 64 pixels, the second one consisting of n=7640 pairs of audio and image files for which the full resolution 256 $\times$ 256 pixels is retained but each image is divided into 16 squares to maintain the limit of 64 $\times$ 64 pixels required by the GAN. We reconstruct the 2D stacks of artificially generated datasets into 3D objects and run image analysis algorithms to characterize statistically the architectural parameters - pore size, tortuosity and pore connectivity - and compare them with the original dataset. Results show that the artificially generated dataset that undergoes downsampling performs better in terms of parameter matching. Our audiovisual approach has the potential to be extended to larger data sets to explore both how similarities and differences can be audibly recognized across multiple samples.

In this paper, we present BERN-NN as an efficient tool to perform bound propagation of Neural Networks (NNs). Bound propagation is a critical step in wide range of NN model checkers and reachability analysis tools. Given a bounded input set, bound propagation algorithms aim to compute tight bounds on the output of the NN. So far, linear and convex optimizations have been used to perform bound propagation. Since neural networks are highly non-convex, state-of-the-art bound propagation techniques suffer from introducing large errors. To circumvent such drawback, BERN-NN approximates the bounds of each neuron using a class of polynomials called Bernstein polynomials. Bernstein polynomials enjoy several interesting properties that allow BERN-NN to obtain tighter bounds compared to those relying on linear and convex approximations. BERN-NN is efficiently parallelized on graphic processing units (GPUs). Extensive numerical results show that bounds obtained by BERN-NN are orders of magnitude tighter than those obtained by state-of-the-art verifiers such as linear programming and linear interval arithmetic. Moreoveer, BERN-NN is both faster and produces tighter outputs compared to convex programming approaches like alpha-CROWN.

Development of the new methods of surface water observation is crucial in the perspective of increasingly frequent extreme hydrological events related to global warming and increasing demand for water. Orthophotos and digital surface models (DSMs) obtained using UAV photogrammetry can be used to determine the Water Surface Elevation (WSE) of a river. However, this task is difficult due to disturbances of the water surface on DSMs caused by limitations of photogrammetric algorithms. In this study, machine learning was used to extract a WSE value from disturbed photogrammetric data. A brand new dataset has been prepared specifically for this purpose by hydrology and photogrammetry experts. The new method is an important step toward automating water surface level measurements with high spatial and temporal resolution. Such data can be used to validate and calibrate of hydrological, hydraulic and hydrodynamic models making hydrological forecasts more accurate, in particular predicting extreme and dangerous events such as floods or droughts. For our knowledge this is the first approach in which dataset was created for this purpose and deep learning models were used for this task. Additionally, neuroevolution algorithm was set to explore different architectures to find local optimal models and non-gradient search was performed to fine-tune the model parameters. The achieved results have better accuracy compared to manual methods of determining WSE from photogrammetric DSMs.

Although large pre-trained language models have achieved great success in many NLP tasks, it has been shown that they reflect human biases from their pre-training corpora. This bias may lead to undesirable outcomes when these models are applied in real-world settings. In this paper, we investigate the bias present in monolingual BERT models across a diverse set of languages (English, Greek, and Persian). While recent research has mostly focused on gender-related biases, we analyze religious and ethnic biases as well and propose a template-based method to measure any kind of bias, based on sentence pseudo-likelihood, that can handle morphologically complex languages with gender-based adjective declensions. We analyze each monolingual model via this method and visualize cultural similarities and differences across different dimensions of bias. Ultimately, we conclude that current methods of probing for bias are highly language-dependent, necessitating cultural insights regarding the unique ways bias is expressed in each language and culture (e.g. through coded language, synecdoche, and other similar linguistic concepts). We also hypothesize that higher measured social biases in the non-English BERT models correlate with user-generated content in their training.

Ranking and selection (R&S) is a popular model for studying discrete-event dynamic systems. It aims to select the best design (the design with the largest mean performance) from a finite set, where the mean of each design is unknown and has to be learned by samples. Great research efforts have been devoted to this problem in the literature for developing procedures with superior empirical performance and showing their optimality. In these efforts, myopic procedures were popular. They select the best design using a 'naive' mechanism of iteratively and myopically improving an approximation of the objective measure. Although they are based on simple heuristics and lack theoretical support, they turned out highly effective, and often achieved competitive empirical performance compared to procedures that were proposed later and shown to be asymptotically optimal. In this paper, we theoretically analyze these myopic procedures and prove that they also satisfy the optimality conditions of R&S, just like some other popular R&S methods. It explains the good performance of myopic procedures in various numerical tests, and provides good insight into the structure and theoretical development of efficient R&S procedures.

We introduce GLAMI-1M: the largest multilingual image-text classification dataset and benchmark. The dataset contains images of fashion products with item descriptions, each in 1 of 13 languages. Categorization into 191 classes has high-quality annotations: all 100k images in the test set and 75% of the 1M training set were human-labeled. The paper presents baselines for image-text classification showing that the dataset presents a challenging fine-grained classification problem: The best scoring EmbraceNet model using both visual and textual features achieves 69.7% accuracy. Experiments with a modified Imagen model show the dataset is also suitable for image generation conditioned on text. The dataset, source code and model checkpoints are published at https://github.com/glami/glami-1m

Over the last two decades, around three hundred quasars have been discovered at $z\gtrsim6$, yet only one was identified as being strong-gravitationally lensed. We explore a new approach, enlarging the permitted spectral parameter space while introducing a new spatial geometry veto criterion, implemented via image-based deep learning. We made the first application of this approach in a systematic search for reionization-era lensed quasars, using data from the Dark Energy Survey, the Visible and Infrared Survey Telescope for Astronomy Hemisphere Survey, and the Wide-field Infrared Survey Explorer. Our search method consists of two main parts: (i) pre-selection of the candidates based on their spectral energy distributions (SEDs) using catalog-level photometry and (ii) relative probabilities calculation of being a lens or some contaminant utilizing a convolutional neural network (CNN) classification. The training datasets are constructed by painting deflected point-source lights over actual galaxy images to generate realistic galaxy-quasar lens models, optimized to find systems with small image separations, i.e., Einstein radii of $\theta_\mathrm{E} \leq 1$ arcsec. Visual inspection is then performed for sources with CNN scores of $P_\mathrm{lens} > 0.1$, which led us to obtain 36 newly-selected lens candidates, waiting for spectroscopic confirmation. These findings show that automated SED modeling and deep learning pipelines, supported by modest human input, are a promising route for detecting strong lenses from large catalogs that can overcome the veto limitations of primarily dropout-based SED selection approaches.

Urban villages (UVs) refer to the underdeveloped informal settlement falling behind the rapid urbanization in a city. Since there are high levels of social inequality and social risks in these UVs, it is critical for city managers to discover all UVs for making appropriate renovation policies. Existing approaches to detecting UVs are labor-intensive or have not fully addressed the unique challenges in UV detection such as the scarcity of labeled UVs and the diverse urban patterns in different regions. To this end, we first build an urban region graph (URG) to model the urban area in a hierarchically structured way. Then, we design a novel contextual master-slave framework to effectively detect the urban village from the URG. The core idea of such a framework is to firstly pre-train a basis (or master) model over the URG, and then to adaptively derive specific (or slave) models from the basis model for different regions. The proposed framework can learn to balance the generality and specificity for UV detection in an urban area. Finally, we conduct extensive experiments in three cities to demonstrate the effectiveness of our approach.

This paper studies the problem of stochastic continuum-armed bandit with constraints (SCBwC), where we optimize a black-box reward function $f(x)$ subject to a black-box constraint function $g(x)\leq 0$ over a continuous space $\mathcal X$. We model reward and constraint functions via Gaussian processes (GPs) and propose a Rectified Pessimistic-Optimistic Learning framework (RPOL), a penalty-based method incorporating optimistic and pessimistic GP bandit learning for reward and constraint functions, respectively. We consider the metric of cumulative constraint violation $\sum_{t=1}^T(g(x_t))^{+},$ which is strictly stronger than the traditional long-term constraint violation $\sum_{t=1}^Tg(x_t).$ The rectified design for the penalty update and the pessimistic learning for the constraint function in RPOL guarantee the cumulative constraint violation is minimal. RPOL can achieve sublinear regret and cumulative constraint violation for SCBwC and its variants (e.g., under delayed feedback and non-stationary environment). These theoretical results match their unconstrained counterparts. Our experiments justify RPOL outperforms several existing baseline algorithms.

As machine learning agents act more autonomously in the world, they will increasingly interact with each other. Unfortunately, in many social dilemmas like the one-shot Prisoner's Dilemma, standard game theory predicts that ML agents will fail to cooperate with each other. Prior work has shown that one way to enable cooperative outcomes in the one-shot Prisoner's Dilemma is to make the agents mutually transparent to each other, i.e., to allow them to access one another's source code (Rubinstein 1998, Tennenholtz 2004) -- or weights in the case of ML agents. However, full transparency is often unrealistic, whereas partial transparency is commonplace. Moreover, it is challenging for agents to learn their way to cooperation in the full transparency setting. In this paper, we introduce a more realistic setting in which agents only observe a single number indicating how similar they are to each other. We prove that this allows for the same set of cooperative outcomes as the full transparency setting. We also demonstrate experimentally that cooperation can be learned using simple ML methods.

Big data analysis poses the dual problem of privacy preservation and utility, i.e., how accurate data analyses remain after transforming original data in order to protect the privacy of the individuals that the data is about - and whether they are accurate enough to be meaningful. In this paper, we thus investigate across several datasets whether different methods of generating fully synthetic data vary in their utility a priori (when the specific analyses to be performed on the data are not known yet), how closely their results conform to analyses on original data a posteriori, and whether these two effects are correlated. We find some methods (decision-tree based) to perform better than others across the board, sizeable effects of some choices of imputation parameters (notably the number of released datasets), no correlation between broad utility metrics and analysis accuracy, and varying correlations for narrow metrics. We did get promising findings for classification tasks when using synthetic data for training machine learning models, which we consider worth exploring further also in terms of mitigating privacy attacks against ML models such as membership inference and model inversion.

Understanding self-supervised learning is important but challenging. Previous theoretical works study the role of pretraining losses, and view neural networks as general black boxes. However, the recent work of Saunshi et al. argues that the model architecture -- a component largely ignored by previous works -- also has significant influences on the downstream performance of self-supervised learning. In this work, we provide the first theoretical analysis of self-supervised learning that incorporates the effect of inductive biases originating from the model class. In particular, we focus on contrastive learning -- a popular self-supervised learning method that is widely used in the vision domain. We show that when the model has limited capacity, contrastive representations would recover certain special clustering structures that are compatible with the model architecture, but ignore many other clustering structures in the data distribution. As a result, our theory can capture the more realistic setting where contrastive representations have much lower dimensionality than the number of clusters in the data distribution. We instantiate our theory on several synthetic data distributions, and provide empirical evidence to support the theory.  ( 2 min )

When several models have similar training scores, classical model selection heuristics follow Occam's razor and advise choosing the ones with least capacity. Yet, modern practice with large neural networks has often led to situations where two networks with exactly the same number of parameters score similar on the training set, but the deeper one generalizes better to unseen examples. With this in mind, it is well accepted that deep networks are superior to shallow wide ones. However, theoretically there is no difference between the two. In fact, they are both universal approximators. In this work we propose a new unsupervised measure that predicts how well a model will generalize. We call it the output sharpness, and it is based on the fact that, in reality, boundaries between concepts are generally unsharp. We test this new measure on several neural network settings, and architectures, and show how generally strong the correlation is between our metric, and test set performance. Having established this measure, we give a mathematical probabilistic argument that predicts network depth to be correlated with our proposed measure. After verifying this in real data, we are able to formulate the key argument of the work: output sharpness hampers generalization; deep networks have an in built bias against it; therefore, deep networks beat wide ones. All in all the work not only provides a helpful predictor of overfitting that can be used in practice for model selection (or even regularization), but also provides a much needed theoretical grounding for the success of modern deep neural networks.

Mobility systems often suffer from a high price of anarchy due to the uncontrolled behavior of selfish users. This may result in societal costs that are significantly higher compared to what could be achieved by a centralized system-optimal controller. Monetary tolling schemes can effectively align the behavior of selfish users with the system-optimum. Yet, they inevitably discriminate the population in terms of income. Artificial currencies were recently presented as an effective alternative that can achieve the same performance, whilst guaranteeing fairness among the population. However, those studies were based on behavioral models that may differ from practical implementations. This paper presents a data-driven approach to automatically adapt artificial-currency tolls within repetitive-game settings. We first consider a parallel-arc setting whereby users commute on a daily basis from a unique origin to a unique destination, choosing a route in exchange of an artificial-currency price or reward while accounting for the impact of the choices of the other users on travel discomfort. Second, we devise a model-based reinforcement learning controller that autonomously learns the optimal pricing policy by interacting with the proposed framework considering the closeness of the observed aggregate flows to a desired system-optimal distribution as a reward function. Our numerical results show that the proposed data-driven pricing scheme can effectively align the users' flows with the system optimum, significantly reducing the societal costs with respect to the uncontrolled flows (by about 15% and 25% depending on the scenario), and respond to environmental changes in a robust and efficient manner.  ( 2 min )

Machine learning approaches have become popular for molecular modeling tasks, including molecular force fields and properties prediction. Traditional supervised learning methods suffer from scarcity of labeled data for particular tasks, motivating the use of large-scale dataset for other relevant tasks. We propose to pretrain neural networks on a dataset of 86 millions of molecules with atom charges and 3D geometries as inputs and molecular energies as labels. Experiments show that, compared to training from scratch, fine-tuning the pretrained model can significantly improve the performance for seven molecular property prediction tasks and two force field tasks. We also demonstrate that the learned representations from the pretrained model contain adequate information about molecular structures, by showing that linear probing of the representations can predict many molecular information including atom types, interatomic distances, class of molecular scaffolds, and existence of molecular fragments. Our results show that supervised pretraining is a promising research direction in molecular modeling  ( 2 min )

We introduce \textit{Nocturne}, a new 2D driving simulator for investigating multi-agent coordination under partial observability. The focus of Nocturne is to enable research into inference and theory of mind in real-world multi-agent settings without the computational overhead of computer vision and feature extraction from images. Agents in this simulator only observe an obstructed view of the scene, mimicking human visual sensing constraints. Unlike existing benchmarks that are bottlenecked by rendering human-like observations directly using a camera input, Nocturne uses efficient intersection methods to compute a vectorized set of visible features in a C++ back-end, allowing the simulator to run at $2000+$ steps-per-second. Using open-source trajectory and map data, we construct a simulator to load and replay arbitrary trajectories and scenes from real-world driving data. Using this environment, we benchmark reinforcement-learning and imitation-learning agents and demonstrate that the agents are quite far from human-level coordination ability and deviate significantly from the expert trajectories.

Learning to cooperate with other agents is challenging when those agents also possess the ability to adapt to our own behavior. Practical and theoretical approaches to learning in cooperative settings typically assume that other agents' behaviors are stationary, or else make very specific assumptions about other agents' learning processes. The goal of this work is to understand whether we can reliably learn to cooperate with other agents without such restrictive assumptions, which are unlikely to hold in real-world applications. Our main contribution is a set of impossibility results, which show that no learning algorithm can reliably learn to cooperate with all possible adaptive partners in a repeated matrix game, even if that partner is guaranteed to cooperate with some stationary strategy. Motivated by these results, we then discuss potential alternative assumptions which capture the idea that an adaptive partner will only adapt rationally to our behavior.

Recent developments in deep learning-based methods demonstrated its potential to predict the 3D protein structures using inputs such as protein sequences, Cryo-Electron microscopy (Cryo-EM) images of proteins, etc. However, these methods struggle to predict the protein complexes (PC), structures with more than one protein. In this work, we explore the atomic force microscope (AFM) assisted deep learning-based methods to predict the 3D structure of PCs. The images produced by AFM capture the protein structure in different and random orientations. These multi-view images can help train the neural network to predict the 3D structure of protein complexes. However, obtaining the dataset of actual AFM images is time-consuming and not a pragmatic task. We propose a virtual AFM imaging pipeline that takes a 'PDB' protein file and generates multi-view 2D virtual AFM images using volume rendering techniques. With this, we created a dataset of around 8K proteins. We train a neural network for 3D reconstruction called Pix2Vox++ using the synthesized multi-view 2D AFM images dataset. We compare the predicted structure obtained using a different number of views and get the intersection over union (IoU) value of 0.92 on the training dataset and 0.52 on the validation dataset. We believe this approach will lead to better prediction of the structure of protein complexes.

Few-shot learning is a rapidly evolving area of research in machine learning where the goal is to classify unlabeled data with only one or "a few" labeled exemplary samples. Neural networks are typically trained to minimize a distance metric between labeled exemplary samples and a query set. Early few-shot approaches use an episodic training process to sub-sample the training data into few-shot batches. This training process matches the sub-sampling done on evaluation. Recently, conventional supervised training coupled with a cosine distance has achieved superior performance for few-shot. Despite the diversity of few-shot approaches over the past decade, most methods still rely on the cosine or Euclidean distance layer between the latent features of the trained network. In this work, we investigate the distributions of trained few-shot features and demonstrate that they can be roughly approximated as exponential distributions. Under this assumption of an exponential distribution, we propose a new maximum log-likelihood metric for few-shot architectures. We demonstrate that the proposed metric achieves superior performance accuracy w.r.t. conventional similarity metrics (e.g., cosine, Euclidean, etc.), and achieve state-of-the-art inductive few-shot performance. Further, additional gains can be achieved by carefully combining multiple metrics and neither of our methods require post-processing feature transformations, which are common to many algorithms. Finally, we demonstrate a novel iterative algorithm designed around our maximum log-likelihood approach that achieves state-of-the-art transductive few-shot performance when the evaluation data is imbalanced. We have made our code publicly available at https://github.com/samuelhess/MLL_FSL/.

In vision and linguistics; the main input modalities are facial expressions, speech patterns, and the words uttered. The issue with analysis of any one mode of expression (Visual, Verbal or Vocal) is that lot of contextual information can get lost. This asks researchers to inspect multiple modalities to get a thorough understanding of the cross-modal dependencies and temporal context of the situation to analyze the expression. This work attempts at preserving the long-range dependencies within and across different modalities, which would be bottle-necked by the use of recurrent networks and adds the concept of delta-attention to focus on local differences per modality to capture the idiosyncrasy of different people. We explore a cross-attention fusion technique to get the global view of the emotion expressed through these delta-self-attended modalities, in order to fuse all the local nuances and global context together. The addition of attention is new to the multi-modal fusion field and currently being scrutinized for on what stage the attention mechanism should be used, this work achieves competitive accuracy for overall and per-class classification which is close to the current state-of-the-art with almost half number of parameters.

Bayesian inference can quantify uncertainty in the predictions of neural networks using posterior distributions for model parameters and network output. By looking at these posterior distributions, one can separate the origin of uncertainty into aleatoric and epistemic. We use the joint distribution of predictive uncertainty and epistemic uncertainty to quantify how this interpretation of uncertainty depends upon model architecture, dataset complexity, and data distributional shifts in image classification tasks. We conclude that the origin of uncertainty is subjective to each neural network and that the quantification of the induced uncertainty from data distributional shifts depends on the complexity of the underlying dataset. Furthermore, we show that the joint distribution of predictive and epistemic uncertainty can be used to identify data domains where the model is most accurate. To arrive at these results, we use two common posterior approximation methods, Monte-Carlo dropout and deep ensembles, for fully-connected, convolutional and attention-based neural networks.

We present two solutions to sentence-level SLR. Sentence-level SLR required mapping videos of sign language sentences to sequences of gloss labels. Connectionist Temporal Classification (CTC) has been used as the classifier level of both models. CTC is used to avoid pre-segmenting the sentences into individual words. The first model is an LRCN-based model, and the second model is a Multi-Cue Network. LRCN is a model in which a CNN as a feature extractor is applied to each frame before feeding them into an LSTM. In the first approach, no prior knowledge has been leveraged. Raw frames are fed into an 18-layer LRCN with a CTC on top. In the second approach, three main characteristics (hand shape, hand position, and hand movement information) associated with each sign have been extracted using Mediapipe. 2D landmarks of hand shape have been used to create the skeleton of the hands and then are fed to a CONV-LSTM model. Hand locations and hand positions as relative distance to head are fed to separate LSTMs. All three sources of information have been then integrated into a Multi-Cue network with a CTC classification layer. We evaluated the performance of proposed models on RWTH-PHOENIX-Weather. After performing an excessive search on model hyper-parameters such as the number of feature maps, input size, batch size, sequence length, LSTM memory cell, regularization, and dropout, we were able to achieve 35 Word Error Rate (WER).  ( 2 min )

Various research domains use machine learning approaches because they can solve complex tasks by learning from data. Deploying machine learning models, however, is not trivial and developers have to implement complete solutions which are often installed locally and include Graphical User Interfaces (GUIs). Distributing software to various users on-site has several problems. Therefore, we propose a concept to deploy software in the cloud. There are several frameworks available based on Representational State Transfer (REST) which can be used to implement cloud-based machine learning services. However, machine learning services for scientific users have special requirements that state-of-the-art REST frameworks do not cover completely. We contribute an EasyMLServe software framework to deploy machine learning services in the cloud using REST interfaces and generic local or web-based GUIs. Furthermore, we apply our framework on two real-world applications, \ie, energy time-series forecasting and cell instance segmentation. The EasyMLServe framework and the use cases are available on GitHub.

Minimal changes to neural architectures (e.g. changing a single hyperparameter in a key layer), can lead to significant gains in predictive performance in Convolutional Neural Networks (CNNs). In this work, we present a new approach to receptive field analysis that can yield these types of theoretical and empirical performance gains across twenty well-known CNN architectures examined in our experiments. By further developing and formalizing the analysis of receptive field expansion in convolutional neural networks, we can predict unproductive layers in an automated manner before ever training a model. This allows us to optimize the parameter-efficiency of a given architecture at low cost. Our method is computationally simple and can be done in an automated manner or even manually with minimal effort for most common architectures. We demonstrate the effectiveness of this approach by increasing parameter efficiency across past and current top-performing CNN-architectures. Specifically, our approach is able to improve ImageNet1K performance across a wide range of well-known, state-of-the-art (SOTA) model classes, including: VGG Nets, MobileNetV1, MobileNetV3, NASNet A (mobile), MnasNet, EfficientNet, and ConvNeXt - leading to a new SOTA result for each model class.

The DEtection TRansformer (DETR) approach, which uses a transformer encoder-decoder architecture and a set-based global loss, has become a building block in many transformer based applications. However, as originally presented, the assignment cost and the global loss are not aligned, i.e., reducing the former is likely but not guaranteed to reduce the latter. And the issue of gradient is ignored when a combinatorial solver such as Hungarian is used. In this paper we show that the global loss can be expressed as the sum of an assignment-independent term, and an assignment-dependent term which can be used to define the assignment cost matrix. Recent results on generalized gradients of optimal assignment cost with respect to parameters of an assignment problem are then used to define generalized gradients of the loss with respect to network parameters, and backpropagation is carried out properly. Our experiments using the same loss weights show interesting convergence properties and a potential for further performance improvements.

A few models have tried to tackle the link prediction problem, also known as knowledge graph completion, by embedding knowledge graphs in comparably lower dimensions. However, the state-of-the-art results are attained at the cost of considerably increasing the dimensionality of embeddings which causes scalability issues in the case of huge knowledge bases. Transformers have been successfully used recently as powerful encoders for knowledge graphs, but available models still have scalability issues. To address this limitation, we introduce a Transformer-based model to gain expressive low-dimensional embeddings. We utilize a large number of self-attention heads as the key to applying query-dependent projections to capture mutual information between entities and relations. Empirical results on WN18RR and FB15k-237 as standard link prediction benchmarks demonstrate that our model has favorably comparable performance with the current state-of-the-art models. Notably, we yield our promising results with a significant reduction of 66.9% in the dimensionality of embeddings compared to the five best recent state-of-the-art competitors on average.

Photo Rater is a computer vision project that uses neural networks to help photographers select the best photo among those that are taken based on the same scene. This process is usually referred to as "culling" in photography, and it can be tedious and time-consuming if done manually. Photo Rater utilizes three separate neural networks to complete such a task: one for general image quality assessment, one for classifying whether the photo is blurry (either due to unsteady hands or out-of-focusness), and one for assessing general aesthetics (including the composition of the photo, among others). After feeding the image through each neural network, Photo Rater outputs a final score for each image, ranking them based on this score and presenting it to the user.

Hyperparameter tuning is one of the the most time-consuming parts in machine learning. Despite the existence of modern optimization algorithms that minimize the number of evaluations needed, evaluations of a single setting may still be expensive. Usually a resampling technique is used, where the machine learning method has to be fitted a fixed number of k times on different training datasets. The respective mean performance of the k fits is then used as performance estimator. Many hyperparameter settings could be discarded after less than k resampling iterations if they are clearly inferior to high-performing settings. However, resampling is often performed until the very end, wasting a lot of computational effort. To this end, we propose the Sequential Random Search (SQRS) which extends the regular random search algorithm by a sequential testing procedure aimed at detecting and eliminating inferior parameter configurations early. We compared our SQRS with regular random search using multiple publicly available regression and classification datasets. Our simulation study showed that the SQRS is able to find similarly well-performing parameter settings while requiring noticeably fewer evaluations. Our results underscore the potential for integrating sequential tests into hyperparameter tuning.

Current supervised visual detectors, though impressive within their training distribution, often fail to segment out-of-distribution scenes into their constituent entities. Recent test-time adaptation methods use auxiliary self-supervised losses to adapt the network parameters to each test example independently and have shown promising results towards generalization outside the training distribution for the task of image classification. In our work, we find evidence that these losses can be insufficient for instance segmentation tasks, without also considering architectural inductive biases. For image segmentation, recent slot-centric generative models break such dependence on supervision by attempting to segment scenes into entities in a self-supervised manner by reconstructing pixels. Drawing upon these two lines of work, we propose Slot-TTA, a semi-supervised instance segmentation model equipped with a slot-centric inductive bias, that is adapted per scene at test time through gradient descent on reconstruction or novel view synthesis objectives. We show that test-time adaptation in Slot-TTA greatly improves instance segmentation in out-of-distribution scenes. We evaluate Slot-TTA in several 3D and 2D scene instance segmentation benchmarks and show substantial out-of-distribution performance improvements against state-of-the-art supervised feed-forward detectors and self-supervised test-time adaptation methods.  ( 2 min )

We study the problem of how efficiently, in terms of the number of parameters, deep neural networks with the ReLU activation function can approximate functions in the Sobolev space $W^s(L_q(\Omega))$ on a bounded domain $\Omega$, where the error is measured in $L_p(\Omega)$. This problem is important for studying the application of neural networks in scientific computing and has previously been solved only in the case $p=q=\infty$. Our contribution is to provide a solution for all $1\leq p,q\leq \infty$ and $s > 0$. Our results show that deep ReLU networks significantly outperform classical methods of approximation, but that this comes at the cost of parameters which are not encodable.  ( 2 min )

This paper presents a computationally efficient variant of gradient boosting for multi-class classification and multi-output regression tasks. Standard gradient boosting uses a 1-vs-all strategy for classifications tasks with more than two classes. This strategy translates in that one tree per class and iteration has to be trained. In this work, we propose the use of multi-output regressors as base models to handle the multi-class problem as a single task. In addition, the proposed modification allows the model to learn multi-output regression problems. An extensive comparison with other multi-ouptut based gradient boosting methods is carried out in terms of generalization and computational efficiency. The proposed method showed the best trade-off between generalization ability and training and predictions speeds.

Hyperparameter optimization (HPO) is crucial for strong performance of deep learning algorithms. A widely-used versatile HPO method is a variant of Bayesian optimization called tree-structured Parzen estimator (TPE), which splits data into good and bad groups and uses the density ratio of those groups as an acquisition function (AF). However, real-world applications often have some constraints, such as memory requirements, or latency. In this paper, we present an extension of TPE to constrained optimization (c-TPE) via simple factorization of AFs. The experiments demonstrate c-TPE is robust to various constraint levels and exhibits the best average rank performance among existing methods with statistical significance on search spaces with categorical parameters on 81 settings.

Acquiring food items with a fork poses an immense challenge to a robot-assisted feeding system, due to the wide range of material properties and visual appearances present across food groups. Deformable foods necessitate different skewering strategies than firm ones, but inferring such characteristics for several previously unseen items on a plate remains nontrivial. Our key insight is to leverage visual and haptic observations during interaction with an item to rapidly and reactively plan skewering motions. We learn a generalizable, multimodal representation for a food item from raw sensory inputs which informs the optimal skewering strategy. Given this representation, we propose a zero-shot framework to sense visuo-haptic properties of a previously unseen item and reactively skewer it, all within a single interaction. Real-robot experiments with foods of varying levels of visual and textural diversity demonstrate that our multimodal policy outperforms baselines which do not exploit both visual and haptic cues or do not reactively plan. Across 6 plates of different food items, our proposed framework achieves 71\% success over 69 skewering attempts total. Supplementary material, datasets, code, and videos can be found on our $\href{https://sites.google.com/view/hapticvisualnet-corl22/home}{website}$.

Skillful streamflow forecasts can inform decisions in various areas of water policy and management. We integrate numerical weather prediction ensembles, distributed hydrological model and machine learning to generate ensemble streamflow forecasts at medium-range lead times (1 - 7 days). We demonstrate a case study for machine learning applications in postprocessing ensemble streamflow forecasts in the Upper Susquehanna River basin in the eastern United States. Our results show that the machine learning postprocessor can improve streamflow forecasts relative to low complexity forecasts (e.g., climatological and temporal persistence) as well as standalone hydrometeorological modeling and neural network. The relative gain in forecast skill from postprocessor is generally higher at medium-range timescales compared to shorter lead times; high flows compared to low-moderate flows, and warm-season compared to cool ones. Overall, our results highlight the benefits of machine learning in many aspects for improving both the skill and reliability of streamflow forecasts.

Although sketch-to-photo retrieval has a wide range of applications, it is costly to obtain paired and rich-labeled ground truth. Differently, photo retrieval data is easier to acquire. Therefore, previous works pre-train their models on rich-labeled photo retrieval data (i.e., source domain) and then fine-tune them on the limited-labeled sketch-to-photo retrieval data (i.e., target domain). However, without co-training source and target data, source domain knowledge might be forgotten during the fine-tuning process, while simply co-training them may cause negative transfer due to domain gaps. Moreover, identity label spaces of source data and target data are generally disjoint and therefore conventional category-level Domain Adaptation (DA) is not directly applicable. To address these issues, we propose an Instance-level Heterogeneous Domain Adaptation (IHDA) framework. We apply the fine-tuning strategy for identity label learning, aiming to transfer the instance-level knowledge in an inductive transfer manner. Meanwhile, labeled attributes from the source data are selected to form a shared label space for source and target domains. Guided by shared attributes, DA is utilized to bridge cross-dataset domain gaps and heterogeneous domain gaps, which transfers instance-level knowledge in a transductive transfer manner. Experiments show that our method has set a new state of the art on three sketch-to-photo image retrieval benchmarks without extra annotations, which opens the door to train more effective models on limited-labeled heterogeneous image retrieval tasks. Related codes are available at \url{https://github.com/fandulu/IHDA.

We propose a globally-accelerated, first-order method for the optimization of smooth and (strongly or not) geodesically-convex functions in a wide class of Hadamard manifolds. We achieve the same convergence rates as Nesterov's accelerated gradient descent, up to a multiplicative geometric penalty and log factors. Crucially, we can enforce our method to stay within a compact set we define. Prior fully accelerated works \textit{resort to assuming} that the iterates of their algorithms stay in some pre-specified compact set, except for two previous methods of limited applicability. For our manifolds, this solves the open question in [KY22] about obtaining global general acceleration without iterates assumptively staying in the feasible set.

A recent goal in the theory of deep learning is to identify how neural networks can escape the "lazy training," or Neural Tangent Kernel (NTK) regime, where the network is coupled with its first order Taylor expansion at initialization. While the NTK is minimax optimal for learning dense polynomials (Ghorbani et al, 2021), it cannot learn features, and hence has poor sample complexity for learning many classes of functions including sparse polynomials. Recent works have thus aimed to identify settings where gradient based algorithms provably generalize better than the NTK. One such example is the "QuadNTK" approach of Bai and Lee (2020), which analyzes the second-order term in the Taylor expansion. Bai and Lee (2020) show that the second-order term can learn sparse polynomials efficiently; however, it sacrifices the ability to learn general dense polynomials. In this paper, we analyze how gradient descent on a two-layer neural network can escape the NTK regime by utilizing a spectral characterization of the NTK (Montanari and Zhong, 2020) and building on the QuadNTK approach. We first expand upon the spectral analysis to identify "good" directions in parameter space in which we can move without harming generalization. Next, we show that a wide two-layer neural network can jointly use the NTK and QuadNTK to fit target functions consisting of a dense low-degree term and a sparse high-degree term -- something neither the NTK nor the QuadNTK can do on their own. Finally, we construct a regularizer which encourages our parameter vector to move in the "good" directions, and show that gradient descent on the regularized loss will converge to a global minimizer, which also has low test error. This yields an end to end convergence and generalization guarantee with provable sample complexity improvement over both the NTK and QuadNTK on their own.

During the outbreak of COVID-19 pandemic, several research areas joined efforts to mitigate the damages caused by SARS-CoV-2. In this paper we present an interpretability analysis of a convolutional neural network based model for COVID-19 detection in audios. We investigate which features are important for model decision process, investigating spectrograms, F0, F0 standard deviation, sex and age. Following, we analyse model decisions by generating heat maps for the trained models to capture their attention during the decision process. Focusing on a explainable Inteligence Artificial approach, we show that studied models can taken unbiased decisions even in the presence of spurious data in the training set, given the adequate preprocessing steps. Our best model has 94.44% of accuracy in detection, with results indicating that models favors spectrograms for the decision process, particularly, high energy areas in the spectrogram related to prosodic domains, while F0 also leads to efficient COVID-19 detection.

Artificial intelligence (AI) in radiology has made great strides in recent years, but many hurdles remain. Overfitting and lack of generalizability represent important ongoing challenges hindering accurate and dependable clinical deployment. If AI algorithms can avoid overfitting and achieve true generalizability, they can go from the research realm to the forefront of clinical work. Recently, small data AI approaches such as deep neuroevolution (DNE) have avoided overfitting small training sets. We seek to address both overfitting and generalizability by applying DNE to a virtually pooled data set consisting of images from various institutions. Our use case is classifying neuroblastoma brain metastases on MRI. Neuroblastoma is well-suited for our goals because it is a rare cancer. Hence, studying this pediatric disease requires a small data approach. As a tertiary care center, the neuroblastoma images in our local Picture Archiving and Communication System (PACS) are largely from outside institutions. These multi-institutional images provide a heterogeneous data set that can simulate real world clinical deployment. As in prior DNE work, we used a small training set, consisting of 30 normal and 30 metastasis-containing post-contrast MRI brain scans, with 37% outside images. The testing set was enriched with 83% outside images. DNE converged to a testing set accuracy of 97%. Hence, the algorithm was able to predict image class with near-perfect accuracy on a testing set that simulates real-world data. Hence, the work described here represents a considerable contribution toward clinically feasible AI.

Recently, a new distributed learning scheme called Federated Learning (FL) has been introduced. FL is designed so that server never collects user-owned data meaning it is great at preserving privacy. FL's process starts with the server sending a model to clients, then the clients train that model using their data and send the updated model back to the server. Afterward, the server aggregates all the updates and modifies the global model. This process is repeated until the model converges. This study focuses on an FL setting called cross-device FL, which trains based on a large number of clients. Since many devices may be unavailable in cross-device FL, and communication between the server and all clients is extremely costly, only a fraction of clients gets selected for training at each round. In vanilla FL, clients are selected randomly, which results in an acceptable accuracy but is not ideal from the overall training time perspective, since some clients are slow and can cause some training rounds to be slow. If only fast clients get selected the learning would speed up, but it will be biased toward only the fast clients' data, and the accuracy degrades. Consequently, new client selection techniques have been proposed to improve the training time by considering individual clients' resources and speed. This paper introduces the first availability-aware selection strategy called MDA. The results show that our approach makes learning faster than vanilla FL by up to 6.5%. Moreover, we show that resource heterogeneity-aware techniques are effective but can become even better when combined with our approach, making it faster than the state-of-the-art selectors by up to 16%. Lastly, our approach selects more unique clients for training compared to client selectors that only select fast clients, which reduces our technique's bias.

We consider a constrained, pure exploration, stochastic multi-armed bandit formulation under a fixed budget. Each arm is associated with an unknown, possibly multi-dimensional distribution and is described by multiple attributes that are a function of this distribution. The aim is to optimize a particular attribute subject to user-defined constraints on the other attributes. This framework models applications such as financial portfolio optimization, where it is natural to perform risk-constrained maximization of mean return. We assume that the attributes can be estimated using samples from the arms' distributions and that these estimators satisfy suitable concentration inequalities. We propose an algorithm called \textsc{Constrained-SR} based on the Successive Rejects framework, which recommends an optimal arm and flags the instance as being feasible or infeasible. A key feature of this algorithm is that it is designed on the basis of an information theoretic lower bound for two-armed instances. We characterize an instance-dependent upper bound on the probability of error under \textsc{Constrained-SR}, that decays exponentially with respect to the budget. We further show that the associated decay rate is nearly optimal relative to an information theoretic lower bound in certain special cases.

Media news are making a large part of public opinion and, therefore, must not be fake. News on web sites, blogs, and social media must be analyzed before being published. In this paper, we present linguistic characteristics of media news items to differentiate between fake news and real news using machine learning algorithms. Neural fake news generation, headlines created by machines, semantic incongruities in text and image captions generated by machine are other types of fake news problems. These problems use neural networks which mainly control distributional features rather than evidence. We propose applying correlation between features set and class, and correlation among the features to compute correlation attribute evaluation metric and covariance metric to compute variance of attributes over the news items. Features unique, negative, positive, and cardinal numbers with high values on the metrics are observed to provide a high area under the curve (AUC) and F1-score.  ( 2 min )

We investigate top-$m$ arm identification, a basic problem in bandit theory, in a multi-agent learning model in which agents collaborate to learn an objective function. We are interested in designing collaborative learning algorithms that achieve maximum speedup (compared to single-agent learning algorithms) using minimum communication cost, as communication is frequently the bottleneck in multi-agent learning. We give both algorithmic and impossibility results, and conduct a set of experiments to demonstrate the effectiveness of our algorithms.  ( 2 min )

With the rapid development of information technologies, centralized data processing is subject to many limitations, such as computational overheads, communication delays, and data privacy leakage. Decentralized data processing over networked terminal nodes becomes an important technology in the era of big data. Dictionary learning is a powerful representation learning method to exploit the low-dimensional structure from the high-dimensional data. By exploiting the low-dimensional structure, the storage and the processing overhead of data can be effectively reduced. In this paper, we propose a novel decentralized complete dictionary learning algorithm, which is based on $\ell^{4}$-norm maximization. Compared with existing decentralized dictionary learning algorithms, comprehensive numerical experiments show that the novel algorithm has significant advantages in terms of per-iteration computational complexity, communication cost, and convergence rate in many scenarios. Moreover, a rigorous theoretical analysis shows that the dictionaries learned by the proposed algorithm can converge to the one learned by a centralized dictionary learning algorithm at a linear rate with high probability under certain conditions.

Classifiers and generators have long been separated. We break down this separation and showcase that conventional neural network classifiers can generate high-quality images of a large number of categories, being comparable to the state-of-the-art generative models (e.g., DDPMs and GANs). We achieve this by computing the partial derivative of the classification loss function with respect to the input to optimize the input to produce an image. Since it is widely known that directly optimizing the inputs is similar to targeted adversarial attacks incapable of generating human-meaningful images, we propose a mask-based stochastic reconstruction module to make the gradients semantic-aware to synthesize plausible images. We further propose a progressive-resolution technique to guarantee fidelity, which produces photorealistic images. Furthermore, we introduce a distance metric loss and a non-trivial distribution loss to ensure classification neural networks can synthesize diverse and high-fidelity images. Using traditional neural network classifiers, we can generate good-quality images of 256$\times$256 resolution on ImageNet. Intriguingly, our method is also applicable to text-to-image generation by regarding image-text foundation models as generalized classifiers. Proving that classifiers have learned the data distribution and are ready for image generation has far-reaching implications, for classifiers are much easier to train than generative models like DDPMs and GANs. We don't even need to train classification models because tons of public ones are available for download. Also, this holds great potential for the interpretability and robustness of classifiers.

Generative adversarial nets (GANs) have been remarkably successful at learning to sample from distributions specified by a given dataset, particularly if the given dataset is reasonably large compared to its dimensionality. However, given limited data, classical GANs have struggled, and strategies like output-regularization, data-augmentation, use of pre-trained models and pruning have been shown to lead to improvements. Notably, the applicability of these strategies is 1) often constrained to particular settings, e.g., availability of a pretrained GAN; or 2) increases training time, e.g., when using pruning. In contrast, we propose a Discriminator gradIent Gap regularized GAN (DigGAN) formulation which can be added to any existing GAN. DigGAN augments existing GANs by encouraging to narrow the gap between the norm of the gradient of a discriminator's prediction w.r.t.\ real images and w.r.t.\ the generated samples. We observe this formulation to avoid bad attractors within the GAN loss landscape, and we find DigGAN to significantly improve the results of GAN training when limited data is available. Code is available at \url{https://github.com/AilsaF/DigGAN}.

We study the problem of learning a linear system model from the observations of $M$ clients. The catch: Each client is observing data from a different dynamical system. This work addresses the question of how multiple clients collaboratively learn dynamical models in the presence of heterogeneity. We pose this problem as a federated learning problem and characterize the tension between achievable performance and system heterogeneity. Furthermore, our federated sample complexity result provides a constant factor improvement over the single agent setting. Finally, we describe a meta federated learning algorithm, FedSysID, that leverages existing federated algorithms at the client level.

Recently, differentiable volume rendering in neural radiance fields (NeRF) has gained a lot of popularity, and its variants have attained many impressive results. However, existing methods usually assume the scene is a homogeneous volume so that a ray is cast along the straight path. In this work, the scene is instead a heterogeneous volume with a piecewise-constant refractive index, where the path will be curved if it intersects the different refractive indices. For novel view synthesis of refractive objects, our NeRF-based framework aims to optimize the radiance fields of bounded volume and boundary from multi-view posed images with refractive object silhouettes. To tackle this challenging problem, the refractive index of a scene is reconstructed from silhouettes. Given the refractive index, we extend the stratified and hierarchical sampling techniques in NeRF to allow drawing samples along a curved path tracked by the Eikonal equation. The results indicate that our framework outperforms the state-of-the-art method both quantitatively and qualitatively, demonstrating better performance on the perceptual similarity metric and an apparent improvement in the rendering quality on several synthetic and real scenes.

In this work, we present a rigorous end-to-end control strategy for autonomous vehicles aimed at minimizing lap times in a time attack racing event. We also introduce AutoRACE Simulator developed as a part of this research project, which was employed to simulate accurate vehicular and environmental dynamics along with realistic audio-visual effects. We adopted a hybrid imitation-reinforcement learning architecture and crafted a novel reward function to train a deep neural network policy to drive (using imitation learning) and race (using reinforcement learning) a car autonomously in less than 20 hours. Deployment results were reported as a direct comparison of 10 autonomous laps against 100 manual laps by 10 different human players. The autonomous agent not only exhibited superior performance by gaining 0.96 seconds over the best manual lap, but it also dominated the human players by 1.46 seconds with regard to the mean lap time. This dominance could be justified in terms of better trajectory optimization and lower reaction time of the autonomous agent.

A master face is a face image that passes face-based identity authentication for a high percentage of the population. These faces can be used to impersonate, with a high probability of success, any user, without having access to any user information. We optimize these faces for 2D and 3D face verification models, by using an evolutionary algorithm in the latent embedding space of the StyleGAN face generator. For 2D face verification, multiple evolutionary strategies are compared, and we propose a novel approach that employs a neural network to direct the search toward promising samples, without adding fitness evaluations. The results we present demonstrate that it is possible to obtain a considerable coverage of the identities in the LFW or RFW datasets with less than 10 master faces, for six leading deep face recognition systems. In 3D, we generate faces using the 2D StyleGAN2 generator and predict a 3D structure using a deep 3D face reconstruction network. When employing two different 3D face recognition systems, we are able to obtain a coverage of 40%-50%. Additionally, we present the generation of paired 2D RGB and 3D master faces, which simultaneously match 2D and 3D models with high impersonation rates.

Decentralized Finance (DeFi) is a system of financial products and services built and delivered through smart contracts on various blockchains. In the past year, DeFi has gained popularity and market capitalization. However, it has also been connected to crime, in particular, various types of securities violations. The lack of Know Your Customer requirements in DeFi poses challenges to governments trying to mitigate potential offending in this space. This study aims to uncover whether this problem is suited to a machine learning approach, namely, whether we can identify DeFi projects potentially engaging in securities violations based on their tokens' smart contract code. We adapt prior work on detecting specific types of securities violations across Ethereum, building classifiers based on features extracted from DeFi projects' tokens' smart contract code. The final logistic regression model achieves a 98.9% F-1 score; the final random forest classifier achieves a 98.6% F1-score. From further feature-level analysis, we find a single feature makes this a highly detectable problem. The high reliance on a single feature means that, at this stage, a complex machine learning model may not be necessary or desirable for this problem. However, this may change as DeFi securities violations become more sophisticated. Another contribution of our study is a new dataset, comprised of (a) a verified ground truth dataset for tokens involved in securities violations and (b) a set of legitimate tokens from a reputable DeFi aggregator. This paper further discusses the potential use of a model like ours by prosecutors in enforcement efforts and connects it to the wider legal context.

Machine Learning algorithms have had a profound impact on the field of computer science over the past few decades. These algorithms performance is greatly influenced by the representations that are derived from the data in the learning process. The representations learned in a successful learning process should be concise, discrete, meaningful, and able to be applied across a variety of tasks. A recent effort has been directed toward developing Deep Learning models, which have proven to be particularly effective at capturing high-dimensional, non-linear, and multi-modal characteristics. In this work, we discuss the principles and developments that have been made in the process of learning representations, and converting them into desirable applications. In addition, for each framework or model, the key issues and open challenges, as well as the advantages, are examined.

In this technical note, we introduce an improved variant of nearest neighbors for counterfactual inference in panel data settings where multiple units are assigned multiple treatments over multiple time points, each sampled with constant probabilities. We call this estimator a doubly robust nearest neighbor estimator and provide a high probability non-asymptotic error bound for the mean parameter corresponding to each unit at each time. Our guarantee shows that the doubly robust estimator provides a (near-)quadratic improvement in the error compared to nearest neighbor estimators analyzed in prior work for these settings.

Objectives: Early detection of liver fibrosis can help cure the disease or prevent disease progression. We perform a comprehensive study of machine learning-based fibrosis detection in CT images using radiomic features to develop a non-invasive approach to fibrosis detection. Methods: Two sets of radiomic features were extracted from spherical ROIs in CT images of 182 patients who underwent simultaneous liver biopsy and CT examinations, one set corresponding to biopsy locations and another distant from biopsy locations. Combinations of contrast, normalization, machine learning model, feature selection method, bin width, and kernel radius were investigated, each of which were trained and evaluated 100 times with randomized development and test cohorts. The best settings were evaluated based on their mean test AUC and the best features were determined based on their frequency among the best settings. Results: Logistic regression models with NC images normalized using Gamma correction with $\gamma = 1.5$ performed best for fibrosis detection. Boruta was the best for radiomic feature selection method. Training a model using these optimal settings and features consisting of first order energy, first order kurtosis, and first order skewness, resulted in a model that achieved mean test AUCs of 0.7549 and 0.7166 on biopsy-based and non-biopsy ROIs respectively, outperforming a baseline and best models found during the initial study. Conclusions: Logistic regression models trained on radiomic features from NC images normalized using Gamma correction with $\gamma = 1.5$ that underwent Boruta feature selection are effective for liver fibrosis detection. Energy, kurtosis, and skewness are particularly effective features for fibrosis detection.

Transformers have become one of the dominant architectures in the field of computer vision. However, there are yet several challenges when applying such architectures to video data. Most notably, these models struggle to model the temporal patterns of video data effectively. Directly targeting this issue, we introduce PatchBlender, a learnable blending function that operates over patch embeddings across the temporal dimension of the latent space. We show that our method is successful at enabling vision transformers to encode the temporal component of video data. On Something-Something v2 and MOVi-A, we show that our method improves the performance of a ViT-B. PatchBlender has the advantage of being compatible with almost any Transformer architecture and since it is learnable, the model can adaptively turn on or off the prior. It is also extremely lightweight compute-wise, 0.005% the GFLOPs of a ViT-B.

Civilizations have tried to make drinking water safe to consume for thousands of years. The process of determining water contaminants has evolved with the complexity of the contaminants due to pesticides and heavy metals. The routine procedure to determine water safety is to use targeted analysis which searches for specific substances from some known list; however, we do not explicitly know which substances should be on this list. Before experimentally determining which substances are contaminants, how do we answer the sampling problem of identifying all the substances in the water? Here, we present an approach that builds on the work of Jaanus Liigand et al., which used non-targeted analysis that conducts a broader search on the sample to develop a random-forest regression model, to predict the names of all the substances in a sample, as well as their respective concentrations[1]. This work utilizes techniques from dimensionality reduction and linear decompositions to present a more accurate model using data from the European Massbank Metabolome Library to produce a global list of chemicals that researchers can then identify and test for when purifying water.

Ordinal optimization (OO) is a widely-studied technique for optimizing discrete-event dynamic systems (DEDS). It evaluates the performance of the system designs in a finite set by sampling and aims to correctly make ordinal comparison of the designs. A well-known method in OO is the optimal computing budget allocation (OCBA). It builds the optimality conditions for the number of samples allocated to each design, and the sample allocation that satisfies the optimality conditions is shown to asymptotically maximize the probability of correct selection for the best design. In this paper, we investigate two popular OCBA algorithms. With known variances for samples of each design, we characterize their convergence rates with respect to different performance measures. We first demonstrate that the two OCBA algorithms achieve the optimal convergence rate under measures of probability of correct selection and expected opportunity cost. It fills the void of convergence analysis for OCBA algorithms. Next, we extend our analysis to the measure of cumulative regret, a main measure studied in the field of machine learning. We show that with minor modification, the two OCBA algorithms can reach the optimal convergence rate under cumulative regret. It indicates the potential of broader use of algorithms designed based on the OCBA optimality conditions.  ( 2 min )

Kernels on graphs have had limited options for node-level problems. To address this, we present a novel, generalized kernel for graphs with node feature data for semi-supervised learning. The kernel is derived from a regularization framework by treating the graph and feature data as two Hilbert spaces. We also show how numerous kernel-based models on graphs are instances of our design. A kernel defined this way has transductive properties, and this leads to improved ability to learn on fewer training points, as well as better handling of highly non-Euclidean data. We demonstrate these advantages using synthetic data where the distribution of the whole graph can inform the pattern of the labels. Finally, by utilizing a flexible polynomial of the graph Laplacian within the kernel, the model also performed effectively in semi-supervised classification on graphs of various levels of homophily.  ( 2 min )

We argue that many properties of fully-connected feedforward neural networks (FCNNs), also called multi-layer perceptrons (MLPs), are explainable from the analysis of a single pair of operations, namely a random projection into a higher-dimensional space than the input, followed by a sparsification operation. For convenience, we call this pair of successive operations expand-and-sparsify following the terminology of Dasgupta. We show how expand-and-sparsify can explain the observed phenomena that have been discussed in the literature, such as the so-called Lottery Ticket Hypothesis, the surprisingly good performance of randomly-initialized untrained neural networks, the efficacy of Dropout in training and most importantly, the mysterious generalization ability of overparameterized models, first highlighted by Zhang et al. and subsequently identified even in non-neural network models by Belkin et al.

Ranking and selection (R&S) is a popular model for studying discrete-event dynamic systems. It aims to select the best design (the design with the largest mean performance) from a finite set, where the mean of each design is unknown and has to be learned by samples. Great research efforts have been devoted to this problem in the literature for developing procedures with superior empirical performance and showing their optimality. In these efforts, myopic procedures were popular. They select the best design using a 'naive' mechanism of iteratively and myopically improving an approximation of the objective measure. Although they are based on simple heuristics and lack theoretical support, they turned out highly effective, and often achieved competitive empirical performance compared to procedures that were proposed later and shown to be asymptotically optimal. In this paper, we theoretically analyze these myopic procedures and prove that they also satisfy the optimality conditions of R&S, just like some other popular R&S methods. It explains the good performance of myopic procedures in various numerical tests, and provides good insight into the structure and theoretical development of efficient R&S procedures.

Understanding self-supervised learning is important but challenging. Previous theoretical works study the role of pretraining losses, and view neural networks as general black boxes. However, the recent work of Saunshi et al. argues that the model architecture -- a component largely ignored by previous works -- also has significant influences on the downstream performance of self-supervised learning. In this work, we provide the first theoretical analysis of self-supervised learning that incorporates the effect of inductive biases originating from the model class. In particular, we focus on contrastive learning -- a popular self-supervised learning method that is widely used in the vision domain. We show that when the model has limited capacity, contrastive representations would recover certain special clustering structures that are compatible with the model architecture, but ignore many other clustering structures in the data distribution. As a result, our theory can capture the more realistic setting where contrastive representations have much lower dimensionality than the number of clusters in the data distribution. We instantiate our theory on several synthetic data distributions, and provide empirical evidence to support the theory.

A recent goal in the theory of deep learning is to identify how neural networks can escape the "lazy training," or Neural Tangent Kernel (NTK) regime, where the network is coupled with its first order Taylor expansion at initialization. While the NTK is minimax optimal for learning dense polynomials (Ghorbani et al, 2021), it cannot learn features, and hence has poor sample complexity for learning many classes of functions including sparse polynomials. Recent works have thus aimed to identify settings where gradient based algorithms provably generalize better than the NTK. One such example is the "QuadNTK" approach of Bai and Lee (2020), which analyzes the second-order term in the Taylor expansion. Bai and Lee (2020) show that the second-order term can learn sparse polynomials efficiently; however, it sacrifices the ability to learn general dense polynomials. In this paper, we analyze how gradient descent on a two-layer neural network can escape the NTK regime by utilizing a spectral characterization of the NTK (Montanari and Zhong, 2020) and building on the QuadNTK approach. We first expand upon the spectral analysis to identify "good" directions in parameter space in which we can move without harming generalization. Next, we show that a wide two-layer neural network can jointly use the NTK and QuadNTK to fit target functions consisting of a dense low-degree term and a sparse high-degree term -- something neither the NTK nor the QuadNTK can do on their own. Finally, we construct a regularizer which encourages our parameter vector to move in the "good" directions, and show that gradient descent on the regularized loss will converge to a global minimizer, which also has low test error. This yields an end to end convergence and generalization guarantee with provable sample complexity improvement over both the NTK and QuadNTK on their own.

We consider the problem of recovering the causal structure underlying observations from different experimental conditions when the targets of the interventions in each experiment are unknown. We assume a linear structural causal model with additive Gaussian noise and consider interventions that perturb their targets while maintaining the causal relationships in the system. Different models may entail the same distributions, offering competing causal explanations for the given observations. We fully characterize this equivalence class and offer identifiability results, which we use to derive a greedy algorithm called GnIES to recover the equivalence class of the data-generating model without knowledge of the intervention targets. In addition, we develop a novel procedure to generate semi-synthetic data sets with known causal ground truth but distributions closely resembling those of a real data set of choice. We leverage this procedure and evaluate the performance of GnIES on synthetic, real, and semi-synthetic data sets. Despite the strong Gaussian distributional assumption, GnIES is robust to an array of model violations and competitive in recovering the causal structure in small- to large-sample settings. We provide, in the Python packages "gnies" and "sempler", implementations of GnIES and our semi-synthetic data generation procedure.

Recent work reported the label alignment property in a supervised learning setting: the vector of all labels in the dataset is mostly in the span of the top few singular vectors of the data matrix. Inspired by this observation, we derive a regularization method for unsupervised domain adaptation. Instead of regularizing representation learning as done by popular domain adaptation methods, we regularize the classifier so that the target domain predictions can to some extent ``align" with the top singular vectors of the unsupervised data matrix from the target domain. In a linear regression setting, we theoretically justify the label alignment property and characterize the optimality of the solution of our regularization by bounding its distance to the optimal solution. We conduct experiments to show that our method can work well on the label shift problems, where classic domain adaptation methods are known to fail. We also report mild improvement over domain adaptation baselines on a set of commonly seen MNIST-USPS domain adaptation tasks and on cross-lingual sentiment analysis tasks.

We investigate properties of goodness-of-fit tests based on the Kernel Stein Discrepancy (KSD). We introduce a strategy to construct a test, called KSDAgg, which aggregates multiple tests with different kernels. KSDAgg avoids splitting the data to perform kernel selection (which leads to a loss in test power), and rather maximises the test power over a collection of kernels. We provide non-asymptotic guarantees on the power of KSDAgg: we show it achieves the smallest uniform separation rate of the collection, up to a logarithmic term. For compactly supported densities with bounded model score function, we derive the rate for KSDAgg over restricted Sobolev balls; this rate corresponds to the minimax optimal rate over unrestricted Sobolev balls, up to an iterated logarithmic term. KSDAgg can be computed exactly in practice as it relies either on a parametric bootstrap or on a wild bootstrap to estimate the quantiles and the level corrections. In particular, for the crucial choice of bandwidth of a fixed kernel, it avoids resorting to arbitrary heuristics (such as median or standard deviation) or to data splitting. We find on both synthetic and real-world data that KSDAgg outperforms other state-of-the-art quadratic-time adaptive KSD-based goodness-of-fit testing procedures.

Nesterov's accelerated gradient (AG) is a popular technique to optimize objective functions comprising two components: a convex loss and a penalty function. While AG methods perform well for convex penalties, such as the LASSO, convergence issues may arise when it is applied to nonconvex penalties, such as SCAD. A recent proposal generalizes Nesterov's AG method to the nonconvex setting. The proposed algorithm requires specification of several hyperparameters for its practical application. Aside from some general conditions, there is no explicit rule for selecting the hyperparameters, and how different selection can affect convergence of the algorithm. In this article, we propose a hyperparameter setting based on the complexity upper bound to accelerate convergence, and consider the application of this nonconvex AG algorithm to high-dimensional linear and logistic sparse learning problems. We further establish the rate of convergence and present a simple and useful bound to characterize our proposed optimal damping sequence. Simulation studies show that convergence can be made, on average, considerably faster than that of the conventional proximal gradient algorithm. Our experiments also show that the proposed method generally outperforms the current state-of-the-art methods in terms of signal recovery.

Although disentangled representations are often said to be beneficial for downstream tasks, current empirical and theoretical understanding is limited. In this work, we provide evidence that disentangled representations coupled with sparse base-predictors improve generalization. In the context of multi-task learning, we prove a new identifiability result that provides conditions under which maximally sparse base-predictors yield disentangled representations. Motivated by this theoretical result, we propose a practical approach to learn disentangled representations based on a sparsity-promoting bi-level optimization problem. Finally, we explore a meta-learning version of this algorithm based on group Lasso multiclass SVM base-predictors, for which we derive a tractable dual formulation. It obtains competitive results on standard few-shot classification benchmarks, while each task is using only a fraction of the learned representations.

Score-based generative modelling (SGM) has proven to be a very effective method for modelling densities on finite-dimensional spaces. In this work we propose to extend this methodology to learn generative models over functional spaces. To do so, we represent functional data in spectral space to dissociate the stochastic part of the processes from their space-time part. Using dimensionality reduction techniques we then sample from their stochastic component using finite dimensional SGM. We demonstrate our method's effectiveness for modelling various multimodal datasets.

Inverse problems are paramount in Science and Engineering. In this paper, we consider the setup of Statistical Inverse Problem (SIP) and demonstrate how Stochastic Gradient Descent (SGD) algorithms can be used in the linear SIP setting. We provide consistency and finite sample bounds for the excess risk. We also propose a modification for the SGD algorithm where we leverage machine learning methods to smooth the stochastic gradients and improve empirical performance. We exemplify the algorithm in a setting of great interest nowadays: the Functional Linear Regression model. In this case we consider a synthetic data example and examples with a real data classification problem.

Bayesian inference can quantify uncertainty in the predictions of neural networks using posterior distributions for model parameters and network output. By looking at these posterior distributions, one can separate the origin of uncertainty into aleatoric and epistemic. We use the joint distribution of predictive uncertainty and epistemic uncertainty to quantify how this interpretation of uncertainty depends upon model architecture, dataset complexity, and data distributional shifts in image classification tasks. We conclude that the origin of uncertainty is subjective to each neural network and that the quantification of the induced uncertainty from data distributional shifts depends on the complexity of the underlying dataset. Furthermore, we show that the joint distribution of predictive and epistemic uncertainty can be used to identify data domains where the model is most accurate. To arrive at these results, we use two common posterior approximation methods, Monte-Carlo dropout and deep ensembles, for fully-connected, convolutional and attention-based neural networks.

Algorithmic fairness plays an increasingly critical role in machine learning research. Several group fairness notions and algorithms have been proposed. However, the fairness guarantee of existing fair classification methods mainly depends on specific data distributional assumptions, often requiring large sample sizes, and fairness could be violated when there is a modest number of samples, which is often the case in practice. In this paper, we propose FaiREE, a fair classification algorithm that can satisfy group fairness constraints with finite-sample and distribution-free theoretical guarantees. FaiREE can be adapted to satisfy various group fairness notions (e.g., Equality of Opportunity, Equalized Odds, Demographic Parity, etc.) and achieve the optimal accuracy. These theoretical guarantees are further supported by experiments on both synthetic and real data. FaiREE is shown to have favorable performance over state-of-the-art algorithms.

We consider a constrained, pure exploration, stochastic multi-armed bandit formulation under a fixed budget. Each arm is associated with an unknown, possibly multi-dimensional distribution and is described by multiple attributes that are a function of this distribution. The aim is to optimize a particular attribute subject to user-defined constraints on the other attributes. This framework models applications such as financial portfolio optimization, where it is natural to perform risk-constrained maximization of mean return. We assume that the attributes can be estimated using samples from the arms' distributions and that these estimators satisfy suitable concentration inequalities. We propose an algorithm called \textsc{Constrained-SR} based on the Successive Rejects framework, which recommends an optimal arm and flags the instance as being feasible or infeasible. A key feature of this algorithm is that it is designed on the basis of an information theoretic lower bound for two-armed instances. We characterize an instance-dependent upper bound on the probability of error under \textsc{Constrained-SR}, that decays exponentially with respect to the budget. We further show that the associated decay rate is nearly optimal relative to an information theoretic lower bound in certain special cases.

Online platforms in the Internet Economy commonly incorporate recommender systems that recommend arms (e.g., products) to agents (e.g., users). In such platforms, a myopic agent has a natural incentive to exploit, by choosing the best product given the current information rather than to explore various alternatives to collect information that will be used for other agents. We propose a novel recommender system that respects agents' incentives and enjoys asymptotically optimal performances expressed by the regret in repeated games. We model such an incentive-aware recommender system as a multi-agent bandit problem in a two-sided market which is equipped with an incentive constraint induced by agents' opportunity costs. If the opportunity costs are known to the principal, we show that there exists an incentive-compatible recommendation policy, which pools recommendations across a genuinely good arm and an unknown arm via a randomized and adaptive approach. On the other hand, if the opportunity costs are unknown to the principal, we propose a policy that randomly pools recommendations across all arms and uses each arm's cumulative loss as feedback for exploration. We show that both policies also satisfy an ex-post fairness criterion, which protects agents from over-exploitation.

We propose a series of computationally efficient nonparametric tests for the two-sample, independence, and goodness-of-fit problems, using the Maximum Mean Discrepancy (MMD), Hilbert Schmidt Independence Criterion (HSIC), and Kernel Stein Discrepancy (KSD), respectively. Our test statistics are incomplete $U$-statistics, with a computational cost that interpolates between linear time in the number of samples, and quadratic time, as associated with classical $U$-statistic tests. The three proposed tests aggregate over several kernel bandwidths to detect departures from the null on various scales: we call the resulting tests MMDAggInc, HSICAggInc and KSDAggInc. This procedure provides a solution to the fundamental kernel selection problem as we can aggregate a large number of kernels with several bandwidths without incurring a significant loss of test power. For the test thresholds, we derive a quantile bound for wild bootstrapped incomplete $U$-statistics, which is of independent interest. We derive non-asymptotic uniform separation rates for MMDAggInc and HSICAggInc, and quantify exactly the trade-off between computational efficiency and the attainable rates: this result is novel for tests based on incomplete $U$-statistics, to our knowledge. We further show that in the quadratic-time case, the wild bootstrap incurs no penalty to test power over the more widespread permutation-based approach, since both attain the same minimax optimal rates (which in turn match the rates that use oracle quantiles). We support our claims with numerical experiments on the trade-off between computational efficiency and test power. In all three testing frameworks, the linear-time versions of our proposed tests perform at least as well as the current linear-time state-of-the-art tests.

Physics-informed neural networks (PINNs) constitute a flexible approach to both finding solutions and identifying parameters of partial differential equations. Most works on the topic assume noiseless data, or data contaminated by weak Gaussian noise. We show that the standard PINN framework breaks down in case of non-Gaussian noise. We give a way of resolving this fundamental issue and we propose to jointly train an energy-based model (EBM) to learn the correct noise distribution. We illustrate the improved performance of our approach using multiple examples.

Hyperparameter tuning is one of the the most time-consuming parts in machine learning. Despite the existence of modern optimization algorithms that minimize the number of evaluations needed, evaluations of a single setting may still be expensive. Usually a resampling technique is used, where the machine learning method has to be fitted a fixed number of k times on different training datasets. The respective mean performance of the k fits is then used as performance estimator. Many hyperparameter settings could be discarded after less than k resampling iterations if they are clearly inferior to high-performing settings. However, resampling is often performed until the very end, wasting a lot of computational effort. To this end, we propose the Sequential Random Search (SQRS) which extends the regular random search algorithm by a sequential testing procedure aimed at detecting and eliminating inferior parameter configurations early. We compared our SQRS with regular random search using multiple publicly available regression and classification datasets. Our simulation study showed that the SQRS is able to find similarly well-performing parameter settings while requiring noticeably fewer evaluations. Our results underscore the potential for integrating sequential tests into hyperparameter tuning.

Probability density estimation from observed data constitutes a central task in statistics. Recent advancements in machine learning offer new tools but also pose new challenges. The big data era demands analysis of long-range spatial and long-term temporal dependencies in large collections of raw data, rendering neural networks an attractive solution for density estimation. In this paper, we exploit the concept of copula to explicitly build an estimate of the probability density function associated to any observed data. In particular, we separate univariate marginal distributions from the joint dependence structure in the data, the copula itself, and we model the latter with a neural network-based method referred to as copula density neural estimation (CODINE). Results show that the novel learning approach is capable of modeling complex distributions and it can be applied for mutual information estimation and data generation.

The kernel Maximum Mean Discrepancy~(MMD) is a popular multivariate distance metric between distributions that has found utility in two-sample testing. The usual kernel-MMD test statistic is a degenerate U-statistic under the null, and thus it has an intractable limiting distribution. Hence, to design a level-$\alpha$ test, one usually selects the rejection threshold as the $(1-\alpha)$-quantile of the permutation distribution. The resulting nonparametric test has finite-sample validity but suffers from large computational cost, since every permutation takes quadratic time. We propose the cross-MMD, a new quadratic-time MMD test statistic based on sample-splitting and studentization. We prove that under mild assumptions, the cross-MMD has a limiting standard Gaussian distribution under the null. Importantly, we also show that the resulting test is consistent against any fixed alternative, and when using the Gaussian kernel, it has minimax rate-optimal power against local alternatives. For large sample sizes, our new cross-MMD provides a significant speedup over the MMD, for only a slight loss in power.

The optimal design of experiments typically involves solving an NP-hard combinatorial optimization problem. In this paper, we aim to develop a globally convergent and practically efficient optimization algorithm. Specifically, we consider a setting where the pre-treatment outcome data is available and the synthetic control estimator is invoked. The average treatment effect is estimated via the difference between the weighted average outcomes of the treated and control units, where the weights are learned from the observed data. {Under this setting, we surprisingly observed that the optimal experimental design problem could be reduced to a so-called \textit{phase synchronization} problem.} We solve this problem via a normalized variant of the generalized power method with spectral initialization. On the theoretical side, we establish the first global optimality guarantee for experiment design when pre-treatment data is sampled from certain data-generating processes. Empirically, we conduct extensive experiments to demonstrate the effectiveness of our method on both the US Bureau of Labor Statistics and the Abadie-Diemond-Hainmueller California Smoking Data. In terms of the root mean square error, our algorithm surpasses the random design by a large margin.

We propose a very fast frame-level model for anomaly detection in video, which learns to detect anomalies by distilling knowledge from multiple highly accurate object-level teacher models. To improve the fidelity of our student, we distill the low-resolution anomaly maps of the teachers by jointly applying standard and adversarial distillation, introducing an adversarial discriminator for each teacher to distinguish between target and generated anomaly maps. We conduct experiments on three benchmarks (Avenue, ShanghaiTech, UCSD Ped2), showing that our method is over 7 times faster than the fastest competing method, and between 28 and 62 times faster than object-centric models, while obtaining comparable results to recent methods. Our evaluation also indicates that our model achieves the best trade-off between speed and accuracy, due to its previously unheard-of speed of 1480 FPS. In addition, we carry out a comprehensive ablation study to justify our architectural design choices.

We propose a method for estimation and inference for bounds for heterogeneous causal effect parameters in general sample selection models where the treatment can affect whether an outcome is observed and no exclusion restrictions are available. The method provides conditional effect bounds as functions of policy relevant pre-treatment variables. It allows for conducting valid statistical inference on the unidentified conditional effects. We use a flexible debiased/double machine learning approach that can accommodate non-linear functional forms and high-dimensional confounders. Easily verifiable high-level conditions for estimation and misspecification robust inference guarantees are provided as well. Re-analyzing data from a large scale field experiment on Facebook, we find significant depolarization effects of counter-attitudinal news subscription nudges. The effect bounds are highly heterogeneous and suggest strong depolarization effects for moderates, conservatives, and younger users.

Medical treatments tailored to a patient's baseline characteristics hold the potential of improving patient outcomes while reducing negative side effects. Learning individualized treatment rules (ITRs) often requires aggregation of multiple datasets(sites); however, current ITR methodology does not take between-site heterogeneity into account, which can hurt model generalizability when deploying back to each site. To address this problem, we develop a method for individual-level meta-analysis of ITRs, which jointly learns site-specific ITRs while borrowing information about feature sign-coherency via a scientifically-motivated directionality principle. We also develop an adaptive procedure for model tuning, using information criteria tailored to the ITR learning problem. We study the proposed methods through numerical experiments to understand their performance under different levels of between-site heterogeneity and apply the methodology to estimate ITRs in a large multi-center database of electronic health records. This work extends several popular methodologies for estimating ITRs (A-learning, weighted learning) to the multiple-sites setting.

Classifiers and generators have long been separated. We break down this separation and showcase that conventional neural network classifiers can generate high-quality images of a large number of categories, being comparable to the state-of-the-art generative models (e.g., DDPMs and GANs). We achieve this by computing the partial derivative of the classification loss function with respect to the input to optimize the input to produce an image. Since it is widely known that directly optimizing the inputs is similar to targeted adversarial attacks incapable of generating human-meaningful images, we propose a mask-based stochastic reconstruction module to make the gradients semantic-aware to synthesize plausible images. We further propose a progressive-resolution technique to guarantee fidelity, which produces photorealistic images. Furthermore, we introduce a distance metric loss and a non-trivial distribution loss to ensure classification neural networks can synthesize diverse and high-fidelity images. Using traditional neural network classifiers, we can generate good-quality images of 256$\times$256 resolution on ImageNet. Intriguingly, our method is also applicable to text-to-image generation by regarding image-text foundation models as generalized classifiers. Proving that classifiers have learned the data distribution and are ready for image generation has far-reaching implications, for classifiers are much easier to train than generative models like DDPMs and GANs. We don't even need to train classification models because tons of public ones are available for download. Also, this holds great potential for the interpretability and robustness of classifiers.

The framework of optimal transport has been leveraged to extend the notion of rank to the multivariate setting while preserving desirable properties of the resulting goodness-of-fit (GoF) statistics. In particular, the rank energy (RE) and rank maximum mean discrepancy (RMMD) are distribution-free under the null, exhibit high power in statistical testing, and are robust to outliers. In this paper, we point to and alleviate some of the practical shortcomings of these proposed GoF statistics, namely their high computational cost, high statistical sample complexity, and lack of differentiability with respect to the data. We show that all these practically important issues are addressed by considering entropy-regularized optimal transport maps in place of the rank map, which we refer to as the soft rank. We consequently propose two new statistics, the soft rank energy (sRE) and soft rank maximum mean discrepancy (sRMMD), which exhibit several desirable properties. Given $n$ sample data points, we provide non-asymptotic convergence rates for the sample estimate of the entropic transport map to its population version that are essentially of the order $n^{-1/2}$ when the starting measure is subgaussian and the target measure has compact support. This result is novel compared to existing results which achieve a rate of $n^{-1}$ but crucially rely on both measures having compact support. We leverage this result to demonstrate fast convergence of sample sRE and sRMMD to their population version making them useful for high-dimensional GoF testing. Our statistics are differentiable and amenable to popular machine learning frameworks that rely on gradient methods. We leverage these properties towards showcasing the utility of the proposed statistics for generative modeling on two important problems: image generation and generating valid knockoffs for controlled feature selection.

We consider minimizing a smooth and strongly convex objective function using a stochastic Newton method. At each iteration, the algorithm is given an oracle access to a stochastic estimate of the Hessian matrix. The oracle model includes popular algorithms such as Subsampled Newton and Newton Sketch. Despite using second-order information, these existing methods do not exhibit superlinear convergence, unless the stochastic noise is gradually reduced to zero during the iteration, which would lead to a computational blow-up in the per-iteration cost. We propose to address this limitation with Hessian averaging: instead of using the most recent Hessian estimate, our algorithm maintains an average of all the past estimates. This reduces the stochastic noise while avoiding the computational blow-up. We show that this scheme exhibits local $Q$-superlinear convergence with a non-asymptotic rate of $(\Upsilon\sqrt{\log (t)/t}\,)^{t}$, where $\Upsilon$ is proportional to the level of stochastic noise in the Hessian oracle. A potential drawback of this (uniform averaging) approach is that the averaged estimates contain Hessian information from the global phase of the method, i.e., before the iterates converge to a local neighborhood. This leads to a distortion that may substantially delay the superlinear convergence until long after the local neighborhood is reached. To address this drawback, we study a number of weighted averaging schemes that assign larger weights to recent Hessians, so that the superlinear convergence arises sooner, albeit with a slightly slower rate. Remarkably, we show that there exists a universal weighted averaging scheme that transitions to local convergence at an optimal stage, and still exhibits a superlinear convergence rate nearly (up to a logarithmic factor) matching that of uniform Hessian averaging.

Deep reinforcement learning (DRL) requires the collection of plenty of interventional data, which is sometimes expensive and even unethical in the real world, such as in the autonomous driving and the medical field. Offline reinforcement learning promises to alleviate this issue by exploiting the vast amount of observational data available in the real world. However, observational data may mislead the learning agent to undesirable outcomes if the behavior policy that generates the data depends on unobserved random variables (i.e., confounders). In this paper, we propose two deconfounding methods in DRL to address this problem. The methods first calculate the importance degree of different samples based on the causal inference technique, and then adjust the impact of different samples on the loss function by reweighting or resampling the offline dataset to ensure its unbiasedness. These deconfounding methods can be flexibly combined with the existing model-free DRL algorithms such as soft actor-critic and deep Q-learning, provided that a weak condition can be satisfied by the loss functions of these algorithms. We prove the effectiveness of our deconfounding methods and validate them experimentally.

The abundance of data has given machine learning considerable momentum in natural sciences and engineering, though modeling of physical processes is often difficult. A particularly tough problem is the efficient representation of geometric boundaries. Triangularized geometric boundaries are well understood and ubiquitous in engineering applications. However, it is notoriously difficult to integrate them into machine learning approaches due to their heterogeneity with respect to size and orientation. In this work, we introduce an effective theory to model particle-boundary interactions, which leads to our new Boundary Graph Neural Networks (BGNNs) that dynamically modify graph structures to obey boundary conditions. The new BGNNs are tested on complex 3D granular flow processes of hoppers, rotating drums and mixers, which are all standard components of modern industrial machinery but still have complicated geometry. BGNNs are evaluated in terms of computational efficiency as well as prediction accuracy of particle flows and mixing entropies. BGNNs are able to accurately reproduce 3D granular flows within simulation uncertainties over hundreds of thousands of simulation timesteps. Most notably, in our experiments, particles stay within the geometric objects without using handcrafted conditions or restrictions.

Heterogeneous information networks (HINs) are widely employed for describing real-world data with intricate entities and relationships. To automatically utilize their semantic information, graph neural architecture search has recently been developed on various tasks of HINs. Existing works, on the other hand, show weaknesses in instability and inflexibility. To address these issues, we propose a novel method called Partial Message Meta Multigraph search (PMMM) to automatically optimize the neural architecture design on HINs. Specifically, to learn how graph neural networks (GNNs) propagate messages along various types of edges, PMMM adopts an efficient differentiable framework to search for a meaningful meta multigraph, which can capture more flexible and complex semantic relations than a meta graph. The differentiable search typically suffers from performance instability, so we further propose a stable algorithm called partial message search to ensure that the searched meta multigraph consistently surpasses the manually designed meta-structures, i.e., meta-paths. Extensive experiments on six benchmark datasets over two representative tasks, including node classification and recommendation, demonstrate the effectiveness of the proposed method. Our approach outperforms the state-of-the-art heterogeneous GNNs, finds out meaningful meta multigraphs, and is significantly more stable.

We study the problem of how efficiently, in terms of the number of parameters, deep neural networks with the ReLU activation function can approximate functions in the Sobolev space $W^s(L_q(\Omega))$ on a bounded domain $\Omega$, where the error is measured in $L_p(\Omega)$. This problem is important for studying the application of neural networks in scientific computing and has previously been solved only in the case $p=q=\infty$. Our contribution is to provide a solution for all $1\leq p,q\leq \infty$ and $s > 0$. Our results show that deep ReLU networks significantly outperform classical methods of approximation, but that this comes at the cost of parameters which are not encodable.  ( 2 min )

Graph Neural Networks (GNNs) are able to achieve high classification accuracy on many large real world datasets, but provide no rigorous notion of predictive uncertainty. We leverage recent advances in conformal prediction to construct prediction sets for node classification in inductive learning scenarios, and verify the efficacy of our approach across standard benchmark datasets using popular GNN models. The code is available at \href{https://github.com/jase-clarkson/graph_cp}{this link}.  ( 2 min )

Evolutionary algorithms (EAs) are a sort of nature-inspired metaheuristics, which have wide applications in various practical optimization problems. In these problems, objective evaluations are usually inaccurate, because noise is almost inevitable in real world, and it is a crucial issue to weaken the negative effect caused by noise. Sampling is a popular strategy, which evaluates the objective a couple of times, and employs the mean of these evaluation results as an estimate of the objective value. In this work, we introduce a novel sampling method, median sampling, into EAs, and illustrate its properties and usefulness theoretically by solving OneMax, the problem of maximizing the number of 1s in a bit string. Instead of the mean, median sampling employs the median of the evaluation results as an estimate. Through rigorous theoretical analysis on OneMax under the commonly used onebit noise, we show that median sampling reduces the expected runtime exponentially. Next, through two special noise models, we show that when the 2-quantile of the noisy fitness increases with the true fitness, median sampling can be better than mean sampling; otherwise, it may fail and mean sampling can be better. The results may guide us to employ median sampling properly in practical applications.  ( 2 min )

Interval-censored data solely records the aggregated counts of events during specific time intervals - such as the number of patients admitted to the hospital or the volume of vehicles passing traffic loop detectors - and not the exact occurrence time of the events. It is currently not understood how to fit the Hawkes point processes to this kind of data. Its typical loss function (the point process log-likelihood) cannot be computed without exact event times. Furthermore, it does not have the independent increments property to use the Poisson likelihood. This work builds a novel point process, a set of tools, and approximations for fitting Hawkes processes within interval-censored data scenarios. First, we define the Mean Behavior Poisson process (MBPP), a novel Poisson process with a direct parameter correspondence to the popular self-exciting Hawkes process. We fit MBPP in the interval-censored setting using an interval-censored Poisson log-likelihood (IC-LL). We use the parameter equivalence to uncover the parameters of the associated Hawkes process. Second, we introduce two novel exogenous functions to distinguish the exogenous from the endogenous events. We propose the multi-impulse exogenous function - for when the exogenous events are observed as event time - and the latent homogeneous Poisson process exogenous function - for when the exogenous events are presented as interval-censored volumes. Third, we provide several approximation methods to estimate the intensity and compensator function of MBPP when no analytical solution exists. Fourth and finally, we connect the interval-censored loss of MBPP to a broader class of Bregman divergence-based functions. Using the connection, we show that the popularity estimation algorithm Hawkes Intensity Process (HIP) is a particular case of the MBPP. We verify our models through empirical testing on synthetic data and real-world data.  ( 3 min )

Understanding how the statistical and geometric properties of neural activations relate to network performance is a key problem in theoretical neuroscience and deep learning. In this letter, we calculate how correlations between object representations affect the capacity, a measure of linear separability. We show that for spherical object manifolds, introducing correlations between centroids effectively pushes the spheres closer together, while introducing correlations between the spheres' axes effectively shrinks their radii, revealing a duality between neural correlations and geometry. We then show that our results can be used to accurately estimate the capacity with real neural data.  ( 2 min )

Transfer learning has become an essential technique to exploit information from the source domain to boost performance of the target task. Despite the prevalence in high-dimensional data, heterogeneity and/or heavy tails tend to be discounted in current transfer learning approaches and thus may undermine the resulting performance. We propose a transfer learning procedure in the framework of high-dimensional quantile regression models to accommodate the heterogeneity and heavy tails in the source and target domains. We establish error bounds of the transfer learning estimator based on delicately selected transferable source domains, showing that lower error bounds can be achieved for critical selection criterion and larger sample size of source tasks. We further propose valid confidence interval and hypothesis test procedures for individual component of quantile regression coefficients by advocating a one-step debiased estimator of transfer learning estimator wherein the consistent variance estimation is proposed via the technique of transfer learning again. Simulation results demonstrate that the proposed method exhibits some favorable performances.  ( 2 min )

We investigate the sample complexity of learning the optimal arm for multi-task bandit problems. Arms consist of two components: one that is shared across tasks (that we call representation) and one that is task-specific (that we call predictor). The objective is to learn the optimal (representation, predictor)-pair for each task, under the assumption that the optimal representation is common to all tasks. Within this framework, efficient learning algorithms should transfer knowledge across tasks. We consider the best-arm identification problem for a fixed confidence, where, in each round, the learner actively selects both a task, and an arm, and observes the corresponding reward. We derive instance-specific sample complexity lower bounds satisfied by any $(\delta_G,\delta_H)$-PAC algorithm (such an algorithm identifies the best representation with probability at least $1-\delta_G$, and the best predictor for a task with probability at least $1-\delta_H$). We devise an algorithm OSRL-SC whose sample complexity approaches the lower bound, and scales at most as $H(G\log(1/\delta_G)+ X\log(1/\delta_H))$, with $X,G,H$ being, respectively, the number of tasks, representations and predictors. By comparison, this scaling is significantly better than the classical best-arm identification algorithm that scales as $HGX\log(1/\delta)$.  ( 2 min )

Spurious correlations, or correlations that change across domains where a model can be deployed, present significant challenges to real-world applications of machine learning models. However, such correlations are not always "spurious"; often, they provide valuable prior information for a prediction beyond what can be extracted from the input alone. Here, we present a test-time adaptation method that exploits the spurious correlation phenomenon, in contrast to recent approaches that attempt to eliminate spurious correlations through invariance. We consider situations where the prior distribution $p(y, z)$, which models the marginal dependence between the class label $y$ and the nuisance factors $z$, may change across domains, but the generative model for features $p(\mathbf{x}|y, z)$ is constant. We note that this is an expanded version of the label shift assumption, where the labels now also include the nuisance factors $z$. Based on this observation, we train a classifier to predict $p(y, z|\mathbf{x})$ on the source distribution, and implement a test-time label shift correction that adapts to changes in the marginal distribution $p(y, z)$ using unlabeled samples from the target domain. We call our method "Test-Time Label-Shift Adaptation" or TTLSA. We apply our method to two different image datasets -- the CheXpert chest X-ray dataset and the colored MNIST dataset -- and show that it gives better downstream results than methods that try to train classifiers which are invariant to the changes in prior distribution. Code reproducing experiments is available at https://github.com/nalzok/test-time-label-shift .  ( 2 min )

Existing offline reinforcement learning (RL) algorithms typically assume that training data is either: 1) generated by a known policy, or 2) of entirely unknown origin. We consider multi-demonstrator offline RL, a middle ground where we know which demonstrators generated each dataset, but make no assumptions about the underlying policies of the demonstrators. This is the most natural setting when collecting data from multiple human operators, yet remains unexplored. Since different demonstrators induce different data distributions, we show that this can be naturally framed as a domain generalization problem, with each demonstrator corresponding to a different domain. Specifically, we propose Domain-Invariant Model-based Offline RL (DIMORL), where we apply Risk Extrapolation (REx) (Krueger et al., 2020) to the process of learning dynamics and rewards models. Our results show that models trained with REx exhibit improved domain generalization performance when compared with the natural baseline of pooling all demonstrators' data. We observe that the resulting models frequently enable the learning of superior policies in the offline model-based RL setting, can improve the stability of the policy learning process, and potentially enable increased exploration.  ( 2 min )

We develop an online kernel Cumulative Sum (CUSUM) procedure, which consists of a parallel set of kernel statistics with different window sizes to account for the unknown change-point location. Compared with many existing sliding window-based kernel change-point detection procedures, which correspond to the Shewhart chart-type procedure, the proposed procedure is more sensitive to small changes. We further present a recursive computation of detection statistics, which is crucial for online procedures to achieve a constant computational and memory complexity, such that we do not need to calculate and remember the entire Gram matrix, which can be a computational bottleneck otherwise. We obtain precise analytic approximations of the two fundamental performance metrics, the Average Run Length (ARL) and Expected Detection Delay (EDD). Furthermore, we establish the optimal window size on the order of $\log ({\rm ARL})$ such that there is nearly no power loss compared with an oracle procedure, which is analogous to the classic result for window-limited Generalized Likelihood Ratio (GLR) procedure. We present extensive numerical experiments to validate our theoretical results and the competitive performance of the proposed method.  ( 2 min )

Hi! I'm doing a course on neural network, and we have to make a 10 min presentation about a topic of our choosing, and explain it to the rest of the class. It's a beggining course, so we're looking for something not to heavy, but also kind of relevant and fun. We are looking for options but you might have something in mind also. ​ Thanks in advance! submitted by /u/Mikesblum [link] [comments]  ( 44 min )

This is what it gave me: 0 1 0 0 0 0 0 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 1 I tried using a binary to text converter but I only got some garbage values. Am I doing something wrong? Or do I actually need to be a machine to understand this? submitted by /u/LorestForest [link] [comments]  ( 47 min )

https://www.lesswrong.com/posts/3nMpdmt8LrzxQnkGp/ai-timelines-via-cumulative-optimization-power-less-long TLDR: We can best predict the future by using simple models which best postdict the past (ala Bayes/Solomonoff). A simple model based on net training compute postdicts the relative performance of successful biological and artificial neural networks. Extrapolation of this model into the future leads to short AI timelines: ~75% chance of AGI by 2032. A very interesting article. Any thoughts? submitted by /u/ThePerson654321 [link] [comments]  ( 64 min )

submitted by /u/LordPewPew777 [link] [comments]  ( 45 min )

I know this post has been done before, but looking for fresh opinions since everything seems to be changing so fast. I'm a mid-level developer and I can't help but to feel that GPT-4 will be my doom. Am I crazy? submitted by /u/SylviaSelva [link] [comments]  ( 48 min )

What are some of the best free/paid CV or resume generators on the market. submitted by /u/jav4script [link] [comments]  ( 47 min )

submitted by /u/Personal-Trainer-541 [link] [comments]  ( 48 min )

submitted by /u/PuppetHere [link] [comments]  ( 76 min )

Are you interested in understanding the pros and cons of AI writing? Artificial Intelligence (AI) has become a powerful tool in the world of writing, offering numerous advantages and disadvantages. In this blog post, we will explore the various advantages and disadvantages of AI writing and help you understand how you can use it in your writing projects. Step 1: What is AI Writing? AI writing is the use of artificial intelligence to produce written content. AI writing can be used to generate content quickly and efficiently, with minimal effort on the part of the writer. AI writing can also be used to detect errors in written content and suggest corrections. Step 2: Advantages of AI Writing One of the main advantages of AI writing is its ability to produce high-quality content quickly a…  ( 50 min )

submitted by /u/kenickh [link] [comments]  ( 45 min )

I'm very impressed with OpenAi's Playground chatbot (it uses GPT-3). Do you know if there are any other similarly good chatbots available right now? I suppose that Google must have a great one but I can't find a place where you can test it. submitted by /u/Best_Strawberry_2255 [link] [comments]  ( 45 min )

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Hey Guys, i stumbled upon AI Notion a couple of days ago. I am already on the waitlist, but that will probably take some months. Wondering if anyone can recommend some other AI that can help me summarize text in german? I have seen openai.com, but that seems to have some flaws with german text. Thank you :) submitted by /u/Dabudda93 [link] [comments]  ( 46 min )

I've been reading descriptions of AI Writing programs for the last few days, and they all seem to focus on generating ideas and plotlines. That isn't what I need. I have more ideas and plotlines than I'll ever be able to use. But 25 years ago I had a little brain episode that left me unable to write stories. I can write other stuff. I can blog, for example. But when I try to write fiction everything freezes up on me. So what I'm looking for is a program where I can basically type in an outline and then have it give me a first draft. Does anything like that exist yet? submitted by /u/ZeitgeistClown [link] [comments]  ( 47 min )

submitted by /u/qptbook [link] [comments]  ( 45 min )

OpenAI released an update to their davinci model in GPT-3 (the text-davinci-003 model is the new one). I wanted to have some fun with testing it out, so I gave it this prompt: Describe what qualities would make post titles perform well and perform poorly on the /r/artificial subreddit. Give an example of a good post title and bad post title for a post about the latest update to GPT-3. response: Good Post Title: "What's New in GPT-3? Unpacking the Latest Update" Bad Post Title: "Look What I Found! The Latest GPT-3 Version Out Now" Good post titles on /r/artificial have some combination of the following qualities: they are descriptive and to the point, they demonstrate knowledge of the technology discussed, they are written in a conversational style, they are explanatory rather than promotional, they use relevant keywords, and they provide something of value to the readers. Poor post titles on /r/artificial may contain clickbait language, appear to be written for the purpose of promotion, lack punchy words, be too vague, or include offensive language. submitted by /u/lnfinity [link] [comments]  ( 46 min )

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submitted by /u/codingai [link] [comments]  ( 47 min )

What do you think about the book “Artificial Intelligence: A modern approach”? I’m considering buying this book (4th edition) to learn and improve my knowledge about the foundations of AI and make sure I understand the concepts of Convolutional Neural Networks, Genetic Algorithms, and Neural Networks in general. Because sometimes I wonder if I fully understand the math and logic behind those fields. submitted by /u/linear_xp [link] [comments]  ( 50 min )

I've been trying to build Pytorch from source with dynamically linked CUDA in order to save ~ 6 GB in my Dockerfile. However, the issue is, while this is not too difficult--I want my build options to almost exactly match the official build options for Pytorch, so I'm not missing out on some hidden speedup. From looking around: https://discuss.pytorch.org/t/what-is-the-official-release-build-options/43317, it seems like people don't know the official build options for Pytorch releases. I was wondering if anyone here knows of a "official" / "endorsed" Dockerfile that will build dynamically-linked Pytorch with all the important optimizations enabled. submitted by /u/vanilla-acc [link] [comments]  ( 64 min )

Hello all! A while ago, I used to advertise a library for probabilistic modeling called pomegranate that I was writing. Now, I'm here to advertise torchegranate, which is a temporary repository for a pomegranate rewrite using PyTorch as the backend. The results are fantastic: huge speed improvements for individual probability distributions, as well as for mixture models and hidden Markov models. There were three goals for the rewrite: (1) speed, particularly making use of GPU-based calculations, (2) community contribution, because PyTorch is way easier to understand and write in than Cython, and (3) interoperability, allowing the probabilistic models in pomegranate to seamlessly integrate with deep learning models implemented in PyTorch as loss functions or internal components. I've redesigned the API a bit to be less cumbersome and to match scikit-learn at key places. I'm looking for user feedback to help guide the project going forward, so please give it a whirl with pip install torchegranate. Check out the GitHub repo: https://github.com/jmschrei/torchegranate Check out this release thread: https://twitter.com/jmschreiber91/status/1597653345623474176?s=20&t=d_2C1YsSEbVcgUhUFCoAeQ Thanks!!! submitted by /u/ants_rock [link] [comments]  ( 67 min )

Information on this task seems a little sparse. I have found this https://arxiv.org/pdf/2101.08231.pdf But I'm also looking around for different techniques, whether it be statistical or neural. I tried looking around on the NLP Progress Github page, but couldn't find anything. The paper I linked uses mBERT and has achieved high accuracy with zero-shot performance from the supported languages. However, I'm looking for something that is specifically for two languages. Like aligning English-Spanish, hopefully something that is more light weight than a mBERT. Any resources would be great. Thanks for your help. submitted by /u/itsyourboiirow [link] [comments]  ( 69 min )

I like to browse conference proceedings similar to what's done in arxiv-sanity: an image thumbnail of a paper accompanied by an abstract and other metadata. I have done similar overviews previously for NeurIPS 2021 and ICLR, and now ordered all NeurIPS 2022 papers (both from the main conference and the datasets track) based on average review scores in the form of a thumbnail, abstract and other metadata (such as the "tldr" section). https://preview.redd.it/ole0lvws2x2a1.png?width=1219&format=png&auto=webp&s=36013138ba820c67849cec11e49d967fad8c7822 The overview is available here: https://www.confviews.com/neurips2022/ The code is here: https://github.com/tanelp/confviews submitted by /u/tanelai [link] [comments]  ( 63 min )

Hello, I am trying to figure out a classification problem with non-trivial quantity of input features. Right now I am looking at binary classification of long videos ~million frames. Right now I am stuck at barely 70 000 frames. is there some trick to dealing with these types of problems? The only thing that comes to my mind at this point is to somewhat compress/decimate my frames to shrink the input features in a way that ML can still predict something from these. Other way would be to manually label a lot of frames one-by-one and construct some sort of meta algorithm, but I'd like to try something less labour intensive first. submitted by /u/Vae94 [link] [comments]  ( 68 min )

https://www.lesswrong.com/posts/mkbGjzxD8d8XqKHzA/the-singular-value-decompositions-of-transformer-weight If we take the SVD of the weight matrices of the OV circuit and of MLP layers of GPT models, and project them to token embedding space, we notice this results in highly interpretable semantic clusters. This means that the network learns to align the principal directions of each MLP weight matrix or attention head to read from or write to semantically interpretable directions in the residual stream. We can use this to both improve our understanding of transformer language models and edit their representations. We use this finding to design both a natural language query locator, where you can write a set of natural language concepts and find all weight directions in the network which correspond to it, and also to edit the network's representations by deleting specific singular vectors, which results in relatively large effects on the logits related to the semantics of that vector and relatively small effects on semantically different clusters Looks like a thoughtful article and it has nice visuals. submitted by /u/visarga [link] [comments]  ( 66 min )

Hello, I just finished reading the Swin v2 paper and there is one detail I didn’t understand. They spoke about a technique to reduce memory consumption that is called Sequential self-attention computation. Here is their explication when they speak of a large model With a large resolution and window size: The self attention module constitutes a bottleneck. To alleviate this problem, we implement self-attention computation sequentially, instead of using the previous batch computation approach. This optimization is applied to the layers in the first two stages and has little impact on the overall training speed. So what is the previous batch computation approach ? And isn’t the self attention done sequentially anyway ? Thanks 🙏 submitted by /u/Meddhouib10 [link] [comments]  ( 64 min )

Generalizing deep learning architectures for natural integration with principles and practice of relational databases. In this article, we go through the topic of deep relational learning with a concrete example on relational databases. ​ https://preview.redd.it/tgiarzshmv2a1.jpg?width=1400&format=pjpg&auto=webp&s=e81fdffc568b290a39615424bc19fc746f5c217f submitted by /u/Lukas_Zahradnik [link] [comments]  ( 60 min )

Historically, DNNs training happens on the cloud due to the huge memory cost. Edge platforms used to only perform inference, but it is difficult to learn to adapt to the new sensory data. Can we train on the edge to make a device continually improve its prediction? In this work, we enable on-device training under 256KB SRAM and 1MB Flash, using less than 1/1000 memory of PyTorch while matching the accuracy on the visual wake words application. It enables the model to adapt to newly collected sensor data and users can enjoy customized services without uploading the data to the cloud thus protecting privacy. Details below: Website：https://tinytraining.mit.edu/ Paper：https://arxiv.org/abs/2206.15472 Demo: https://youtu.be/XaDCO8YtmBw Code: https://github.com/mit-han-lab/tiny-training On-…  ( 69 min )

Context: on Wikipedia they have a section labeled vital articles which includes 5 levels. ​ (To give u an idea of what I am describing) Now level 1 includes these articles: The arts, Earth, Human, Human history, Life, Mathematics, Philosophy, Science, Society, Technology. As the levels progress the number of articles increases, so level 2 has 101 and includes sections for the articles like: History (9 articles), Geography (12), etc. So, here is the idea: we feed articles from level 1 to level 3 maybe, (idk how much they can process.) Can my A.I. be smart enough to draw conclusions from the info I've given it? Is this even possible to do ? What would I use to make something like this? and where could I start? If you took the time to read all of this, (I love you), if u respond with help thanks in advance. Also, no idea what I want to accomplish, just wanted to see how smart we can make a 'blank slate' if we made it read wiki. submitted by /u/anonymousmoonkey [link] [comments]  ( 66 min )

New technique significantly reduces training and inference time on extensive datasets to keep pace with fast-moving data in finance, social networks, and fraud detection in cryptocurrency.  ( 11 min )

New technique could diminish errors that hamper the performance of super-fast analog optical neural networks.  ( 10 min )

submitted by /u/gwern [link] [comments]  ( 56 min )

Hi everyone, I am final year computer science student and my final semester comprises of doing a project. Project duration is 5 months. I am good at ML, Deep Learning, done some projects on Reinforcement Learning like playing atari game using deep q learning, etc. ​ Can someone recommend me some reinforcement learning projects good enough? If you can, can you recommend me some tasks in robotics rl? submitted by /u/Santhosh999 [link] [comments]  ( 55 min )

Right now, there is a bug in my code because when one of those environment is done, I do reset it, BUT instead of sending the observation to a new episode (which is what I should do), I send it to the same episode (basically re-starting it after the reset). This is because I'm not sure how to implement the case where env1 might be already running episode 3, while env2 might still be running episode 2. Could any of you help? submitted by /u/No_Possibility_7588 [link] [comments]  ( 54 min )

Hi, has anybody tried to use Stable-Baselines3 with the recent version of Isaac Gym preview and can guide me with any relevant github-repo? Thank you submitted by /u/Fun-Moose-3841 [link] [comments]  ( 57 min )

Why do people use the UR3 for research instead of cheaper alternatives like the magician? What extra capabilities do these robots provide that justify the expensive price? I'm looking to do Reinforcement Learning research using a robot arm in python. submitted by /u/SuperDuperDooken [link] [comments]  ( 57 min )

I read the DishBrain Paper, and replicated their experiment in an RL environment where the goal was to play pong, but instead of extrinsic reward the state space had random noise applied as a penalty. Given this, if our RL learning algo is similar to that of biological systems, then it should learn to play pong when put in this environment just like that in the DishBrain paper. I implemented Deep Active Inference which was basically just SAC with a state-predictive intrinsic reward (friston/VFE minimization theory). This was able to learn on the environment whereas a pure extrinsic reward maximization algo could never learn on the env (extrinsic reward was just 0). Kinda a trivial project at the implementation level, but on the theory side it convinced me that a predictive signal is necessary for human-level learning. Curious what y’all think, personally it had inspired me to look into the power of future state predictive objectives, such as Forward Mutual Information State abstractions and emergent social learning in MARL envs. submitted by /u/jms4607 [link] [comments]  ( 62 min )

while designing a multi-agent reinforcement learning environment, I found that the number of agents in function "step(action)" is not fixed. Some agents transport to destination earlier, while some are later, hence they will pick action at different time. In this situation, how to design environment for reinforcement learning? submitted by /u/Low_Letterhead_23 [link] [comments]  ( 54 min )

This special edition of Research Focus highlights some of the 100+ papers from Microsoft Research that were accepted for publication at NeurIPS 2022 – the thirty-sixth annual Conference on Neural Information Processing Systems. Few-shot Task-agnostic Neural Architecture Search for Distilling Large Language Models Dongkuan Xu, Subhabrata Mukherjee, Xiaodong Liu, Debadeepta Dey, Wenhui Wang, Xiang Zhang, Ahmed […] The post Research Focus: Week of November 28, 2022 appeared first on Microsoft Research.  ( 13 min )

Posted by Jason Wei and Yi Tay, Research Scientists, Google Research, Brain Team In recent years, language models (LMs) have become more prominent in natural language processing (NLP) research and are also becoming increasingly impactful in practice. Scaling up LMs has been shown to improve performance across a range of NLP tasks. For instance, scaling up language models can improve perplexity across seven orders of magnitude of model sizes, and new abilities such as multi-step reasoning have been observed to arise as a result of model scale. However, one of the challenges of continued scaling is that training new, larger models requires great amounts of computational resources. Moreover, new models are often trained from scratch and do not leverage the weights from previously existing mo…  ( 92 min )

Industrial leader Siemens is accelerating development of defect detection models with 3D synthetic data generation from NVIDIA Omniverse, the latest manufacturing gains to emerge from an extended partnership for the industrial metaverse that aims to advance digital twins. The Siemens Xcelerator and NVIDIA Omniverse platforms are building connections to enable full-design-fidelity, live digital twins that Read article > The post Siemens Taps Omniverse Replicator on AWS for Synthetic Data Generation to Accelerate Defect Detection Model Development by 5X appeared first on NVIDIA Blog.  ( 6 min )

3D artist, virtual reality expert, storyteller and educator Hsin-Chien Huang shares his unique creator journey and award-winning artwork Samsara this week In the NVIDIA Studio. The post 3D Artist and Educator Hsin-Chien Huang Takes VR to the World Stage This Week ‘In the NVIDIA Studio’ appeared first on NVIDIA Blog.  ( 6 min )

submitted by /u/kenickh [link] [comments]  ( 44 min )

Over the last 5 years, artificial intelligence (AI) and machine learning (ML) have evolved from a niche activity to a rapidly growing mainstream endeavor. Today, more than 100,000 customers across numerous industries rely on AWS for ML and AI initiatives that infuse AI into a broad range of business use cases to automate repetitive and […]  ( 9 min )

Partial-label learning (PLL) utilizes instances with PLs, where a PL includes several candidate labels but only one is the true label (TL). In PLL, identification-based strategy (IBS) purifies each PL on the fly to select the (most likely) TL for training; average-based strategy (ABS) treats all candidate labels equally for training and let trained models be able to predict TL. Although PLL research has focused on IBS for better performance, ABS is also worthy of study since modern IBS behaves like ABS in the beginning of training to prepare for PL purification and TL selection. In this paper, we analyze why ABS was unsatisfactory and propose how to improve it. Theoretically, we formalize five problem settings of PLL and prove that average PL losses (APLLs) with bounded multi-class losses are always robust, while APLLs with unbounded losses may be non-robust, which is the first robustness analysis for PLL. Experimentally, we have two promising findings: ABS using bounded losses can match/exceed state-of-the-art performance of IBS using unbounded losses; after using robust APLLs to warm start, IBS can further improve upon itself. Our work draws attention to ABS research, which can in turn boost IBS and push forward the whole PLL.  ( 2 min )

Radio access network (RAN) technologies continue to evolve, with Open RAN gaining the most recent momentum. In the O-RAN specifications, the RAN intelligent controllers (RICs) are software-defined orchestration and automation functions for the intelligent management of RAN. This article introduces principles for machine learning (ML), in particular, reinforcement learning (RL) applications in the O-RAN stack. Furthermore, we review the state-of-the-art research in wireless networks and cast it onto the RAN framework and the hierarchy of the O-RAN architecture. We provide a taxonomy for the challenges faced by ML/RL models throughout the development life-cycle: from the system specification to production deployment (data acquisition, model design, testing and management, etc.). To address the challenges, we integrate a set of existing MLOps principles with unique characteristics when RL agents are considered. This paper discusses a systematic model development, testing and validation life-cycle, termed: RLOps. We discuss fundamental parts of RLOps, which include: model specification, development, production environment serving, operations monitoring and safety/security. Based on these principles, we propose the best practices for RLOps to achieve an automated and reproducible model development process. At last, a holistic data analytics platform rooted in the O-RAN deployment is designed and implemented, aiming to embrace and fulfil the aforementioned principles and best practices of RLOps.  ( 3 min )

In this paper we propose an unsupervised feature extraction method to capture temporal information on monocular videos, where we detect and encode subject of interest in each frame and leverage contrastive self-supervised (CSS) learning to extract rich latent vectors. Instead of simply treating the latent features of nearby frames as positive pairs and those of temporally-distant ones as negative pairs as in other CSS approaches, we explicitly disentangle each latent vector into a time-variant component and a time-invariant one. We then show that applying contrastive loss only to the time-variant features and encouraging a gradual transition on them between nearby and away frames while also reconstructing the input, extract rich temporal features, well-suited for human pose estimation. Our approach reduces error by about 50% compared to the standard CSS strategies, outperforms other unsupervised single-view methods and matches the performance of multi-view techniques. When 2D pose is available, our approach can extract even richer latent features and improve the 3D pose estimation accuracy, outperforming other state-of-the-art weakly supervised methods.  ( 2 min )

Post-hoc multi-class calibration is a common approach for providing high-quality confidence estimates of deep neural network predictions. Recent work has shown that widely used scaling methods underestimate their calibration error, while alternative Histogram Binning (HB) methods often fail to preserve classification accuracy. When classes have small prior probabilities, HB also faces the issue of severe sample-inefficiency after the conversion into K one-vs-rest class-wise calibration problems. The goal of this paper is to resolve the identified issues of HB in order to provide calibrated confidence estimates using only a small holdout calibration dataset for bin optimization while preserving multi-class ranking accuracy. From an information-theoretic perspective, we derive the I-Max concept for binning, which maximizes the mutual information between labels and quantized logits. This concept mitigates potential loss in ranking performance due to lossy quantization, and by disentangling the optimization of bin edges and representatives allows simultaneous improvement of ranking and calibration performance. To improve the sample efficiency and estimates from a small calibration set, we propose a shared class-wise (sCW) calibration strategy, sharing one calibrator among similar classes (e.g., with similar class priors) so that the training sets of their class-wise calibration problems can be merged to train the single calibrator. The combination of sCW and I-Max binning outperforms the state of the art calibration methods on various evaluation metrics across different benchmark datasets and models, using a small calibration set (e.g., 1k samples for ImageNet).  ( 3 min )

We present a simple and yet effective interpolation-based regularization technique, aiming to improve the generalization of Graph Neural Networks (GNNs) on supervised graph classification. We leverage Mixup, an effective regularizer for vision, where random sample pairs and their labels are interpolated to create synthetic images for training. Unlike images with grid-like coordinates, graphs have arbitrary structure and topology, which can be very sensitive to any modification that alters the graph's semantic meanings. This posts two unanswered questions for Mixup-like regularization schemes: Can we directly mix up a pair of graph inputs? If so, how well does such mixing strategy regularize the learning of GNNs? To answer these two questions, we propose ifMixup, which first adds dummy nodes to make two graphs have the same input size and then simultaneously performs linear interpolation between the aligned node feature vectors and the aligned edge representations of the two graphs. We empirically show that such simple mixing schema can effectively regularize the classification learning, resulting in superior predictive accuracy to popular graph augmentation and GNN methods.  ( 2 min )

Recent studies show that task distribution plays a vital role in the meta-learner's performance. Conventional wisdom is that task diversity should improve the performance of meta-learning. In this work, we find evidence to the contrary; (i) our experiments draw into question the efficacy of our learned models: similar manifolds can be learned with a subset of the data (lower task diversity). This finding questions the advantage of providing more data to the model, and (ii) adding diversity to the task distribution (higher task diversity) sometimes hinders the model and does not lead to a significant improvement in performance as previously believed. To strengthen our findings, we provide both empirical and theoretical evidence.  ( 2 min )

We study the problem of zero-order optimization of a strongly convex function. The goal is to find the minimizer of the function by a sequential exploration of its values, under measurement noise. We study the impact of higher order smoothness properties of the function on the optimization error and on the cumulative regret. To solve this problem we consider a randomized approximation of the projected gradient descent algorithm. The gradient is estimated by a randomized procedure involving two function evaluations and a smoothing kernel. We derive upper bounds for this algorithm both in the constrained and unconstrained settings and prove minimax lower bounds for any sequential search method. Our results imply that the zero-order algorithm is nearly optimal in terms of sample complexity and the problem parameters. Based on this algorithm, we also propose an estimator of the minimum value of the function achieving almost sharp oracle behavior. We compare our results with the state-of-the-art, highlighting a number of key improvements.  ( 2 min )

Training ML models which are fair across different demographic groups is of critical importance due to the increased integration of ML in crucial decision-making scenarios such as healthcare and recruitment. Federated learning has been viewed as a promising solution for collaboratively training machine learning models among multiple parties while maintaining the privacy of their local data. However, federated learning also poses new challenges in mitigating the potential bias against certain populations (e.g., demographic groups), as this typically requires centralized access to the sensitive information (e.g., race, gender) of each datapoint. Motivated by the importance and challenges of group fairness in federated learning, in this work, we propose FairFed, a novel algorithm for fairness-aware aggregation to enhance group fairness in federated learning. Our proposed approach is server-side and agnostic to the applied local debiasing thus allowing for flexible use of different local debiasing methods across clients. We evaluate FairFed empirically versus common baselines for fair ML and federated learning, and demonstrate that it provides fairer models particularly under highly heterogeneous data distributions across clients. We also demonstrate the benefits of FairFed in scenarios involving naturally distributed real-life data collected from different geographical locations or departments within an organization.  ( 2 min )

Reaction-diffusion (Turing) systems are fundamental to the formation of spatial patterns in nature and engineering. These systems are governed by a set of non-linear partial differential equations containing parameters that determine the rate of constituent diffusion and reaction. Critically, these parameters, such as diffusion coefficient, heavily influence the mode and type of the final pattern, and quantitative characterization and knowledge of these parameters can aid in bio-mimetic design or understanding of real-world systems. However, the use of numerical methods to infer these parameters can be difficult and computationally expensive. Typically, adjoint solvers may be used, but they are frequently unstable for very non-linear systems. Alternatively, massive amounts of iterative forward simulations are used to find the best match, but this is extremely effortful. Recently, physics-informed neural networks have been proposed as a means for data-driven discovery of partial differential equations, and have seen success in various applications. Thus, we investigate the use of physics-informed neural networks as a tool to infer key parameters in reaction-diffusion systems in the steady-state for scientific discovery or design. Our proof-of-concept results show that the method is able to infer parameters for different pattern modes and types with errors of less than 10\%. In addition, the stochastic nature of this method can be exploited to provide multiple parameter alternatives to the desired pattern, highlighting the versatility of this method for bio-mimetic design. This work thus demonstrates the utility of physics-informed neural networks for inverse parameter inference of reaction-diffusion systems to enhance scientific discovery and design.  ( 2 min )

User knowledge modeling systems are used as the most effective technology for grabbing new user's attention. Moreover, the quality of service (QOS) is increased by these intelligent services. This paper proposes two user knowledge classifiers based on artificial neural networks used as one of the influential parts of knowledge modeling systems. We employed multi-layer perceptron (MLP) and adaptive neural fuzzy inference system (ANFIS) as the classifiers. Moreover, we used real data contains the user's degree of study time, repetition number, their performance in exam, as well as the learning percentage, as our classifier's inputs. Compared with well-known methods like KNN and Bayesian classifiers used in other research with the same data sets, our experiments present better performance. Although, the number of samples in the train set is not large enough, the performance of the neuro-fuzzy classifier in the test set is 98.6% which is the best result in comparison with others. However, the comparison of MLP toward the ANFIS results presents performance reduction, although the MLP performance is more efficient than other methods like Bayesian and KNN. As our goal is evaluating and reporting the efficiency of a neuro-fuzzy classifier for user knowledge modeling systems, we utilized many different evaluation metrics such as Receiver Operating Characteristic and the Area Under its Curve, Total Accuracy, and Kappa statistics.  ( 2 min )

Recently, deep unfolding methods that guide the design of deep neural networks (DNNs) through iterative algorithms have received increasing attention in the field of inverse problems. Unlike general end-to-end DNNs, unfolding methods have better interpretability and performance. However, to our knowledge, their accuracy and stability in solving inverse problems cannot be fully guaranteed. To bridge this gap, we modified the training procedure and proved that the unfolding method is an iterative regularization method. More precisely, we jointly learn a convex penalty function adversarially by an input-convex neural network (ICNN) to characterize the distance to a real data manifold and train a DNN unfolded from the proximal gradient descent algorithm with this learned penalty. Suppose the real data manifold intersects the inverse problem solutions with only the unique real solution. We prove that the unfolded DNN will converge to it stably. Furthermore, we demonstrate with an example of MRI reconstruction that the proposed method outperforms conventional unfolding methods and traditional regularization methods in terms of reconstruction quality, stability and convergence speed.  ( 2 min )

Contrastive loss has significantly improved performance in supervised classification tasks by using a multi-viewed framework that leverages augmentation and label information. The augmentation enables contrast with another view of a single image but enlarges training time and memory usage. To exploit the strength of multi-views while avoiding the high computation cost, we introduce a multi-exit architecture that outputs multiple features of a single image in a single-viewed framework. To this end, we propose Self-Contrastive (SelfCon) learning, which self-contrasts within multiple outputs from the different levels of a single network. The multi-exit architecture efficiently replaces multi-augmented images and leverages various information from different layers of a network. We demonstrate that SelfCon learning improves the classification performance of the encoder network, and empirically analyze its advantages in terms of the single-view and the sub-network. Furthermore, we provide theoretical evidence of the performance increase based on the mutual information bound. For ImageNet classification on ResNet-50, SelfCon improves accuracy by +0.6% with 59% memory and 48% time of Supervised Contrastive learning, and a simple ensemble of multi-exit outputs boosts performance up to +1.5%. Our code is available at https://github.com/raymin0223/self-contrastive-learning.  ( 2 min )

In the field of representation learning on knowledge graphs (KGs), a hyper-relational fact consists of a main triple and several auxiliary attribute-value descriptions, which is considered more comprehensive and specific than a triple-based fact. However, currently available hyper-relational KG embedding methods in a single view are limited in application because they weaken the hierarchical structure that represents the affiliation between entities. To overcome this limitation, we propose a dual-view hyper-relational KG structure (DH-KG) that contains a hyper-relational instance view for entities and a hyper-relational ontology view for concepts that are abstracted hierarchically from the entities. This paper defines link prediction and entity typing tasks on DH-KG for the first time and constructs two DH-KG datasets, JW44K-6K, extracted from Wikidata, and HTDM based on medical data. Furthermore, we propose DHGE, a DH-KG embedding model based on GRAN encoders, HGNNs, and joint learning. DHGE outperforms baseline models on DH-KG, according to experimental results. Finally, we provide an example of how this technology can be used to treat hypertension. Our model and new datasets are publicly available.  ( 2 min )

Diffusion models have found widespread adoption in various areas. However, sampling from them is slow because it involves emulating a reverse process with hundreds-to-thousands of network evaluations. Inspired by the success of neural operators in accelerating differential equations solving, we approach this problem by solving the underlying neural differential equation from an operator learning perspective. We examine probability flow ODE trajectories in diffusion models and observe a compact energy spectrum that can be learned efficiently in Fourier space. With this insight, we propose diffusion Fourier neural operator (DFNO) with temporal convolution in Fourier space to parameterize the operator that maps initial condition to the solution trajectory, which is a continuous function in time. DFNO can be applied to any diffusion model and generate high-quality samples in one model forward call. Our method achieves the state-of-the-art FID of 4.72 on CIFAR-10 using only one model evaluation.  ( 2 min )

We study the computational complexity of counterfactual reasoning in relation to the complexity of associational and interventional reasoning on structural causal models (SCMs). We show that counterfactual reasoning is no harder than associational or interventional reasoning on fully specified SCMs in the context of two computational frameworks. The first framework is based on the notion of treewidth and includes the classical variable elimination and jointree algorithms. The second framework is based on the more recent and refined notion of causal treewidth which is directed towards models with functional dependencies such as SCMs. Our results are constructive and based on bounding the (causal) treewidth of twin networks -- used in standard counterfactual reasoning that contemplates two worlds, real and imaginary -- to the (causal) treewidth of the underlying SCM structure. In particular, we show that the latter (causal) treewidth is no more than twice the former plus one. Hence, if associational or interventional reasoning is tractable on a fully specified SCM then counterfactual reasoning is tractable too. We extend our results to general counterfactual reasoning that requires contemplating more than two worlds and discuss applications of our results to counterfactual reasoning with a partially specified SCM that is coupled with data. We finally present empirical results that measure the gap between the complexities of counterfactual reasoning and associational/interventional reasoning on random SCMs.  ( 2 min )

We propose \textbf{JAWS}, a series of wrapper methods for distribution-free uncertainty quantification tasks under covariate shift, centered on the core method \textbf{JAW}, the \textbf{JA}ckknife+ \textbf{W}eighted with data-dependent likelihood-ratio weights. JAWS also includes computationally efficient \textbf{A}pproximations of JAW using higher-order influence functions: \textbf{JAWA}. Theoretically, we show that JAW relaxes the jackknife+'s assumption of data exchangeability to achieve the same finite-sample coverage guarantee even under covariate shift. JAWA further approaches the JAW guarantee in the limit of the sample size or the influence function order under common regularity assumptions. Moreover, we propose a general approach to repurposing predictive interval-generating methods and their guarantees to the reverse task: estimating the probability that a prediction is erroneous, based on user-specified error criteria such as a safe or acceptable tolerance threshold around the true label. We then propose \textbf{JAW-E} and \textbf{JAWA-E} as the repurposed proposed methods for this \textbf{E}rror assessment task. Practically, JAWS outperform state-of-the-art predictive inference baselines in a variety of biased real world data sets for interval-generation and error-assessment predictive uncertainty auditing tasks.  ( 2 min )

Recent advances in self-supervised learning integrate Masked Modeling and Siamese Networks into a single framework to fully reap the advantages of both the two techniques. However, the previous erase-based masking scheme in masked image modeling is more aligned with the patchifying mechanism of ViT, it is not originally designed for siamese networks of ConvNet. Existing approaches simply inherit the default loss design from previous siamese networks and ignore the information loss after employing masking operation in the frameworks. In this paper, we propose a filling-based masking strategy called MixMask to prevent information loss due to the randomly erased areas of an image in the vanilla masking method. We further introduce a flexible loss function design that takes into account semantic distance change between two different mixed views for adapting the integrated architecture and avoiding mismatches between transformed input and objective in Masked Siamese ConvNets (MSCN). The flexible loss distance is calculated according to the proposed mix-masking scheme. Extensive experiments are conducted on various datasets of CIFAR-100, Tiny-ImageNet, and ImageNet-1K. The results demonstrate that the proposed framework can achieve better accuracy on linear probing, semi-supervised, and supervised finetuning, which outperforms the state-of-the-art MSCN by a significant margin. We also show the superiority on the downstream tasks of object detection and segmentation. Our source code is available at https://github.com/LightnessOfBeing/MixMask.  ( 2 min )

We present a new zero-shot dense retrieval (ZeroDR) method, COCO-DR, to improve the generalization ability of dense retrieval by combating the distribution shifts between source training tasks and target scenarios. To mitigate the impact of document differences, COCO-DR continues pretraining the language model on the target corpora to adapt the model to target distributions via COtinuous COtrastive learning. To prepare for unseen target queries, COCO-DR leverages implicit Distributionally Robust Optimization (iDRO) to reweight samples from different source query clusters for improving model robustness over rare queries during fine-tuning. COCO-DR achieves superior average performance on BEIR, the zero-shot retrieval benchmark. At BERT Base scale, COCO-DR Base outperforms other ZeroDR models with 60x larger size. At BERT Large scale, COCO-DR Large outperforms the giant GPT-3 embedding model which has 500x more parameters. Our analysis show the correlation between COCO-DR's effectiveness in combating distribution shifts and improving zero-shot accuracy. Our code and model can be found at \url{https://github.com/OpenMatch/COCO-DR}.  ( 2 min )

The Bilevel Optimization Problem is a hierarchical optimization problem with two agents, a leader and a follower. The leader make their own decisions first, and the followers make the best choices accordingly. The leader knows the information of the followers, and the goal of the problem is to find the optimal solution by considering the reactions of the followers from the leader's point of view. For the Bilevel Optimization Problem, there are no general and efficient algorithms or commercial solvers to get an optimal solution, and it is very difficult to get a good solution even for a simple problem. In this paper, we propose a deep learning approach using Graph Neural Networks to solve the bilevel knapsack problem. We train the model to predict the leader's solution and use it to transform the hierarchical optimization problem into a single-level optimization problem to get the solution. Our model found the feasible solution that was about 500 times faster than the exact algorithm with $1.7\%$ optimal gap. Also, our model performed well on problems of different size from the size it was trained on.  ( 2 min )

Recent years have witnessed a large amount of decentralized data in various (edge) devices of end-users, while the decentralized data aggregation remains complicated for machine learning jobs because of regulations and laws. As a practical approach to handling decentralized data, Federated Learning (FL) enables collaborative global machine learning model training without sharing sensitive raw data. The servers schedule devices to jobs within the training process of FL. In contrast, device scheduling with multiple jobs in FL remains a critical and open problem. In this paper, we propose a novel multi-job FL framework, which enables the training process of multiple jobs in parallel. The multi-job FL framework is composed of a system model and a scheduling method. The system model enables a parallel training process of multiple jobs, with a cost model based on the data fairness and the training time of diverse devices during the parallel training process. We propose a novel intelligent scheduling approach based on multiple scheduling methods, including an original reinforcement learning-based scheduling method and an original Bayesian optimization-based scheduling method, which corresponds to a small cost while scheduling devices to multiple jobs. We conduct extensive experimentation with diverse jobs and datasets. The experimental results reveal that our proposed approaches significantly outperform baseline approaches in terms of training time (up to 12.73 times faster) and accuracy (up to 46.4% higher).  ( 2 min )

Artificial intelligence (AI) methods are revolutionizing medical image analysis. However, robust AI models require large multi-site datasets for training. While multiple stakeholders have provided publicly available datasets, the ways in which these data are labeled differ widely. For example, one dataset of chest radiographs might contain labels denoting the presence of metastases in the lung, while another dataset of chest radiograph might focus on the presence of pneumonia. With conventional approaches, these data cannot be used together to train a single AI model. We propose a new framework that we call flexible federated learning (FFL) for collaborative training on such data. Using publicly available data of 695,000 chest radiographs from five institutions - each with differing labels - we demonstrate that large and heterogeneously labeled datasets can be used to train one big AI model with this framework. We find that models trained with FFL are superior to models that are trained on matching annotations only. This may pave the way for training of truly large-scale AI models that make efficient use of all existing data.

In this work, we propose an Automated Machine Learning (AutoML) system to search for models not only with good prediction accuracy but also fair. We first investigate the necessity and impact of unfairness mitigation in the AutoML context. We establish the FairAutoML framework. The framework provides a novel design based on pragmatic abstractions, which makes it convenient to incorporate existing fairness definitions, unfairness mitigation techniques, and hyperparameter search methods into the model search and evaluation process. Following this framework, we develop a fair AutoML system based on an existing AutoML system. The augmented system includes a resource allocation strategy to dynamically decide when and on which models to conduct unfairness mitigation according to the prediction accuracy, fairness, and resource consumption on the fly. Extensive empirical evaluation shows that our system can achieve a good `fair accuracy' and high resource efficiency.

Object trackers deployed on low-power devices need to be light-weight, however, most of the current state-of-the-art (SOTA) methods rely on using compute-heavy backbones built using CNNs or transformers. Large sizes of such models do not allow their deployment in low-power conditions and designing compressed variants of large tracking models is of great importance. This paper demonstrates how highly compressed light-weight object trackers can be designed using neural architectural pruning of large CNN and transformer based trackers. Further, a comparative study on architectural choices best suited to design light-weight trackers is provided. A comparison between SOTA trackers using CNNs, transformers as well as the combination of the two is presented to study their stability at various compression ratios. Finally results for extreme pruning scenarios going as low as 1% in some cases are shown to study the limits of network pruning in object tracking. This work provides deeper insights into designing highly efficient trackers from existing SOTA methods.

Multi-Task Learning (MTL) is a widely-used and powerful learning paradigm for training deep neural networks that allows learning more than one objective by a single backbone. Compared to training tasks separately, MTL significantly reduces computational costs, improves data efficiency, and potentially enhances model performance by leveraging knowledge across tasks. Hence, it has been adopted in a variety of applications, ranging from computer vision to natural language processing and speech recognition. Among them, there is an emerging line of work in MTL that focuses on manipulating the task gradient to derive an ultimate gradient descent direction to benefit all tasks. Despite achieving impressive results on many benchmarks, directly applying these approaches without using appropriate regularization techniques might lead to suboptimal solutions on real-world problems. In particular, standard training that minimizes the empirical loss on the training data can easily suffer from overfitting to low-resource tasks or be spoiled by noisy-labeled ones, which can cause negative transfer between tasks and overall performance drop. To alleviate such problems, we propose to leverage a recently introduced training method, named Sharpness-aware Minimization, which can enhance model generalization ability on single-task learning. Accordingly, we present a novel MTL training methodology, encouraging the model to find task-based flat minima for coherently improving its generalization capability on all tasks. Finally, we conduct comprehensive experiments on a variety of applications to demonstrate the merit of our proposed approach to existing gradient-based MTL methods, as suggested by our developed theory.

Recent works have shown that joint source-channel coding (JSCC) schemes using deep neural networks (DNNs), called DeepJSCC, provide promising results in wireless image transmission. However, these methods mostly focus on the distortion of the reconstructed signals with respect to the input image, rather than their perception by humans. However, focusing on traditional distortion metrics alone does not necessarily result in high perceptual quality, especially in extreme physical conditions, such as very low bandwidth compression ratio (BCR) and low signal-to-noise ratio (SNR) regimes. In this work, we propose two novel JSCC schemes that leverage the perceptual quality of deep generative models (DGMs) for wireless image transmission, namely InverseJSCC and GenerativeJSCC. While the former is an inverse problem approach to DeepJSCC, the latter is an end-to-end optimized JSCC scheme. In both, we optimize a weighted sum of mean squared error (MSE) and learned perceptual image patch similarity (LPIPS) losses, which capture more semantic similarities than other distortion metrics. InverseJSCC performs denoising on the distorted reconstructions of a DeepJSCC model by solving an inverse optimization problem using style-based generative adversarial network (StyleGAN). Our simulation results show that InverseJSCC significantly improves the state-of-the-art (SotA) DeepJSCC in terms of perceptual quality in edge cases. In GenerativeJSCC, we carry out end-to-end training of an encoder and a StyleGAN-based decoder, and show that GenerativeJSCC significantly outperforms DeepJSCC both in terms of distortion and perceptual quality.

Moment methods are an important means of density estimation, but they are generally strongly dependent on the choice of feasible functions, which severely affects the performance. In this paper, which is a very preliminary version, we propose a non-classical parametrization for density estimation using the sample moments, which does not require the choice of such functions. The parametrization is induced by the squared Hellinger distance, and the solution of it, which is proved to exist and be unique subject to simple prior that does not depend on data, can be obtained by convex optimization. Simulation results show the performance of the proposed estimator in estimating multi-modal densities which are mixtures of different types of functions, with a comparison to the prevailing methods.

The accurate estimation of time delays is crucial in traffic congestion analysis, as this information can be used to address fundamental questions regarding the origin and propagation of traffic congestion. However, the exact measurement of time delays during congestion remains a challenge owing to the complex propagation process between roads and high uncertainty regarding future behavior. To overcome this challenge, we propose a novel time delay estimation method for the propagation of traffic congestion due to accidents using lag-specific transfer entropy (TE). The proposed method adopts Markov bootstrap techniques to quantify uncertainty in the time delay estimator. To the best of our knowledge, our proposed method is the first to estimate time delays based on causal relationships between adjacent roads. We validated the method's efficacy using simulated data, as well as real user trajectory data obtained from a major GPS navigation system in South Korea.

Cyber deception is emerging as a promising approach to defending networks and systems against attackers and data thieves. However, despite being relatively cheap to deploy, the generation of realistic content at scale is very costly, due to the fact that rich, interactive deceptive technologies are largely hand-crafted. With recent improvements in Machine Learning, we now have the opportunity to bring scale and automation to the creation of realistic and enticing simulated content. In this work, we propose a framework to automate the generation of email and instant messaging-style group communications at scale. Such messaging platforms within organisations contain a lot of valuable information inside private communications and document attachments, making them an enticing target for an adversary. We address two key aspects of simulating this type of system: modelling when and with whom participants communicate, and generating topical, multi-party text to populate simulated conversation threads. We present the LogNormMix-Net Temporal Point Process as an approach to the first of these, building upon the intensity-free modeling approach of Shchur et al. to create a generative model for unicast and multi-cast communications. We demonstrate the use of fine-tuned, pre-trained language models to generate convincing multi-party conversation threads. A live email server is simulated by uniting our LogNormMix-Net TPP (to generate the communication timestamp, sender and recipients) with the language model, which generates the contents of the multi-party email threads. We evaluate the generated content with respect to a number of realism-based properties, that encourage a model to learn to generate content that will engage the attention of an adversary to achieve a deception outcome.

Face recognition approaches often rely on equal image resolution for verifying faces on two images. However, in practical applications, those image resolutions are usually not in the same range due to different image capture mechanisms or sources. In this work, we first analyze the impact of image resolutions on face verification performance with a state-of-the-art face recognition model. For images synthetically reduced to $5\,\times\,5$ px resolution, the verification performance drops from $99.23\%$ increasingly down to almost $55\%$. Especially for cross-resolution image pairs (one high- and one low-resolution image), the verification accuracy decreases even further. We investigate this behavior more in-depth by looking at the feature distances for every 2-image test pair. To tackle this problem, we propose the following two methods: 1) Train a state-of-the-art face-recognition model straightforwardly with $50\%$ low-resolution images directly within each batch. 2) Train a siamese-network structure and add a cosine distance feature loss between high- and low-resolution features. Both methods show an improvement for cross-resolution scenarios and can increase the accuracy at very low resolution to approximately $70\%$. However, a disadvantage is that a specific model needs to be trained for every resolution pair. Thus, we extend the aforementioned methods by training them with multiple image resolutions at once. The performances for particular testing image resolutions are slightly worse, but the advantage is that this model can be applied to arbitrary resolution images and achieves an overall better performance ($97.72\%$ compared to $96.86\%$). Due to the lack of a benchmark for arbitrary resolution images for the cross-resolution and equal-resolution task, we propose an evaluation protocol for five well-known datasets, focusing on high, mid, and low-resolution images.

Currently, in speech translation, the straightforward approach - cascading a recognition system with a translation system - delivers state-of-the-art results. However, fundamental challenges such as error propagation from the automatic speech recognition system still remain. To mitigate these problems, recently, people turn their attention to direct data and propose various joint training methods. In this work, we seek to answer the question of whether joint training really helps cascaded speech translation. We review recent papers on the topic and also investigate a joint training criterion by marginalizing the transcription posterior probabilities. Our findings show that a strong cascaded baseline can diminish any improvements obtained using joint training, and we suggest alternatives to joint training. We hope this work can serve as a refresher of the current speech translation landscape, and motivate research in finding more efficient and creative ways to utilize the direct data for speech translation.

Quality control is a crucial activity performed by manufacturing enterprises to ensure that their products meet quality standards and avoid potential damage to the brand's reputation. The decreased cost of sensors and connectivity enabled increasing digitalization of manufacturing. In addition, artificial intelligence enables higher degrees of automation, reducing overall costs and time required for defect inspection. This research compares three active learning approaches, having single and multiple oracles, to visual inspection. Six new metrics are proposed to assess the quality of calibration without the need for ground truth. Furthermore, this research explores whether existing calibrators can improve their performance by leveraging an approximate ground truth to enlarge the calibration set. The experiments were performed on real-world data provided by Philips Consumer Lifestyle BV. Our results show that the explored active learning settings can reduce the data labeling effort by between three and four percent without detriment to the overall quality goals, considering a threshold of p=0.95. Furthermore, the results show that the proposed calibration metrics successfully capture relevant information otherwise available to metrics used up to date only through ground truth data. Therefore, the proposed metrics can be used to estimate the quality of models' probability calibration without committing to a labeling effort to obtain ground truth data.

Advances in deep neural network (DNN) architectures have enabled new prediction techniques for stock market data. Unlike other multivariate time-series data, stock markets show two unique characteristics: (i) \emph{multi-order dynamics}, as stock prices are affected by strong non-pairwise correlations (e.g., within the same industry); and (ii) \emph{internal dynamics}, as each individual stock shows some particular behaviour. Recent DNN-based methods capture multi-order dynamics using hypergraphs, but rely on the Fourier basis in the convolution, which is both inefficient and ineffective. In addition, they largely ignore internal dynamics by adopting the same model for each stock, which implies a severe information loss. In this paper, we propose a framework for stock movement prediction to overcome the above issues. Specifically, the framework includes temporal generative filters that implement a memory-based mechanism onto an LSTM network in an attempt to learn individual patterns per stock. Moreover, we employ hypergraph attentions to capture the non-pairwise correlations. Here, using the wavelet basis instead of the Fourier basis, enables us to simplify the message passing and focus on the localized convolution. Experiments with US market data over six years show that our framework outperforms state-of-the-art methods in terms of profit and stability. Our source code and data are available at \url{https://github.com/thanhtrunghuynh93/estimate}.

Active Domain Adaptation (ADA) queries the labels of a small number of selected target samples to help adapting a model from a source domain to a target domain. The local context of queried data is important, especially when the domain gap is large. However, this has not been fully explored by existing ADA works. In this paper, we propose a Local context-aware ADA framework, named LADA, to address this issue. To select informative target samples, we devise a novel criterion based on the local inconsistency of model predictions. Since the labeling budget is usually small, fine-tuning model on only queried data can be inefficient. We progressively augment labeled target data with the confident neighbors in a class-balanced manner. Experiments validate that the proposed criterion chooses more informative target samples than existing active selection strategies. Furthermore, our full method surpasses recent ADA arts on various benchmarks. Code is available at https://github.com/tsun/LADA.

Emotion is not limited to discrete categories of happy, sad, angry, fear, disgust, surprise, and so on. Instead, each emotion category is projected into a set of nearly independent dimensions, named pleasure (or valence), arousal, and dominance, known as PAD. The value of each dimension varies from -1 to 1, such that the neutral emotion is in the center with all-zero values. Training an emotional continuous text-to-speech (TTS) synthesizer on the independent dimensions provides the possibility of emotional speech synthesis with unlimited emotion categories. Our end-to-end neural speech synthesizer is based on the well-known Tacotron. Empirically, we have found the optimum network architecture for injecting the 3D PADs. Moreover, the PAD values are adjusted for the speech synthesis purpose.

Large language models generate complex, open-ended outputs: instead of outputting a class label they write summaries, generate dialogue, or produce working code. In order to asses the reliability of these open-ended generation systems, we aim to identify qualitative categories of erroneous behavior, beyond identifying individual errors. To hypothesize and test for such qualitative errors, we draw inspiration from human cognitive biases -- systematic patterns of deviation from rational judgement. Specifically, we use cognitive biases as motivation to (i) generate hypotheses for problems that models may have, and (ii) develop experiments that elicit these problems. Using code generation as a case study, we find that OpenAI's Codex errs predictably based on how the input prompt is framed, adjusts outputs towards anchors, and is biased towards outputs that mimic frequent training examples. We then use our framework to elicit high-impact errors such as incorrectly deleting files. Our results indicate that experimental methodology from cognitive science can help characterize how machine learning systems behave.

Multi-Task Learning (MTL) is a powerful learning paradigm to improve generalization performance via knowledge sharing. However, existing studies find that MTL could sometimes hurt generalization, especially when two tasks are less correlated. One possible reason that hurts generalization is spurious correlation, i.e., some knowledge is spurious and not causally related to task labels, but the model could mistakenly utilize them and thus fail when such correlation changes. In MTL setup, there exist several unique challenges of spurious correlation. First, the risk of having non-causal knowledge is higher, as the shared MTL model needs to encode all knowledge from different tasks, and causal knowledge for one task could be potentially spurious to the other. Second, the confounder between task labels brings in a different type of spurious correlation to MTL. We theoretically prove that MTL is more prone to taking non-causal knowledge from other tasks than single-task learning, and thus generalize worse. To solve this problem, we propose Multi-Task Causal Representation Learning framework, aiming to represent multi-task knowledge via disentangled neural modules, and learn which module is causally related to each task via MTL-specific invariant regularization. Experiments show that it could enhance MTL model's performance by 5.5% on average over Multi-MNIST, MovieLens, Taskonomy, CityScape, and NYUv2, via alleviating spurious correlation problem.

Deploying TinyML models on low-cost IoT hardware is very challenging, due to limited device memory capacity. Neural processing unit (NPU) hardware address the memory challenge by using model compression to exploit weight quantization and sparsity to fit more parameters in the same footprint. However, designing compressible neural networks (NNs) is challenging, as it expands the design space across which we must make balanced trade-offs. This paper demonstrates Unified DNAS for Compressible (UDC) NNs, which explores a large search space to generate state-of-the-art compressible NNs for NPU. ImageNet results show UDC networks are up to $3.35\times$ smaller (iso-accuracy) or 6.25% more accurate (iso-model size) than previous work.

Deep Learning-based image synthesis techniques have been applied in healthcare research for generating medical images to support open research and augment medical datasets. Training generative adversarial neural networks (GANs) usually require large amounts of training data. Federated learning (FL) provides a way of training a central model using distributed data while keeping raw data locally. However, given that the FL server cannot access the raw data, it is vulnerable to backdoor attacks, an adversarial by poisoning training data. Most backdoor attack strategies focus on classification models and centralized domains. It is still an open question if the existing backdoor attacks can affect GAN training and, if so, how to defend against the attack in the FL setting. In this work, we investigate the overlooked issue of backdoor attacks in federated GANs (FedGANs). The success of this attack is subsequently determined to be the result of some local discriminators overfitting the poisoned data and corrupting the local GAN equilibrium, which then further contaminates other clients when averaging the generator's parameters and yields high generator loss. Therefore, we proposed FedDetect, an efficient and effective way of defending against the backdoor attack in the FL setting, which allows the server to detect the client's adversarial behavior based on their losses and block the malicious clients. Our extensive experiments on two medical datasets with different modalities demonstrate the backdoor attack on FedGANs can result in synthetic images with low fidelity. After detecting and suppressing the detected malicious clients using the proposed defense strategy, we show that FedGANs can synthesize high-quality medical datasets (with labels) for data augmentation to improve classification models' performance.

The predictive information, the mutual information between the past and future, has been shown to be a useful representation learning auxiliary loss for training reinforcement learning agents, as the ability to model what will happen next is critical to success on many control tasks. While existing studies are largely restricted to training specialist agents on single-task settings in simulation, in this work, we study modeling the predictive information for robotic agents and its importance for general-purpose agents that are trained to master a large repertoire of diverse skills from large amounts of data. Specifically, we introduce Predictive Information QT-Opt (PI-QT-Opt), a QT-Opt agent augmented with an auxiliary loss that learns representations of the predictive information to solve up to 297 vision-based robot manipulation tasks in simulation and the real world with a single set of parameters. We demonstrate that modeling the predictive information significantly improves success rates on the training tasks and leads to better zero-shot transfer to unseen novel tasks. Finally, we evaluate PI-QT-Opt on real robots, achieving substantial and consistent improvement over QT-Opt in multiple experimental settings of varying environments, skills, and multi-task configurations.

Recent advances in computer vision have shown promising results in image generation. Diffusion probabilistic models in particular have generated realistic images from textual input, as demonstrated by DALL-E 2, Imagen and Stable Diffusion. However, their use in medicine, where image data typically comprises three-dimensional volumes, has not been systematically evaluated. Synthetic images may play a crucial role in privacy preserving artificial intelligence and can also be used to augment small datasets. Here we show that diffusion probabilistic models can synthesize high quality medical imaging data, which we show for Magnetic Resonance Images (MRI) and Computed Tomography (CT) images. We provide quantitative measurements of their performance through a reader study with two medical experts who rated the quality of the synthesized images in three categories: Realistic image appearance, anatomical correctness and consistency between slices. Furthermore, we demonstrate that synthetic images can be used in a self-supervised pre-training and improve the performance of breast segmentation models when data is scarce (dice score 0.91 vs. 0.95 without vs. with synthetic data).

We show how graph neural networks can be used to solve the canonical graph coloring problem. We frame graph coloring as a multi-class node classification problem and utilize an unsupervised training strategy based on the statistical physics Potts model. Generalizations to other multi-class problems such as community detection, data clustering, and the minimum clique cover problem are straightforward. We provide numerical benchmark results and illustrate our approach with an end-to-end application for a real-world scheduling use case within a comprehensive encode-process-decode framework. Our optimization approach performs on par or outperforms existing solvers, with the ability to scale to problems with millions of variables.

Purpose- Coarctation of the Aorta (CoA) patient-specific computational fluid dynamics (CFD) studies in resource constrained settings are limited by the available imaging modalities for geometry and velocity data acquisition. Doppler echocardiography has been seen as a suitable velocity acquisition modality due to its higher availability and safety. This study aimed to investigate the application of classical machine learning (ML) methods to create an adequate and robust approach for obtaining boundary conditions (BCs) from Doppler Echocardiography images, for haemodynamic modeling using CFD. Methods- Our proposed approach combines ML and CFD to model haemodynamic flow within the region of interest. With the key feature of the approach being the use of ML models to calibrate the inlet and outlet boundary conditions (BCs) of the CFD model. The key input variable for the ML model was the patients heart rate as this was the parameter that varied in time across the measured vessels within the study. ANSYS Fluent was used for the CFD component of the study whilst the scikit-learn python library was used for the ML component. Results- We validated our approach against a real clinical case of severe CoA before intervention. The maximum coarctation velocity of our simulations were compared to the measured maximum coarctation velocity obtained from the patient whose geometry is used within the study. Of the 5 ML models used to obtain BCs the top model was within 5\% of the measured maximum coarctation velocity. Conclusion- The framework demonstrated that it was capable of taking variations of the patients heart rate between measurements into account. Thus, enabling the calculation of BCs that were physiologically realistic when the heart rate was scaled across each vessel whilst providing a reasonably accurate solution.

Graph databases (GDBs) enable processing and analysis of unstructured, complex, rich, and usually vast graph datasets. Despite the large significance of GDBs in both academia and industry, little effort has been made into integrating them with the predictive power of graph neural networks (GNNs). In this work, we show how to seamlessly combine nearly any GNN model with the computational capabilities of GDBs. For this, we observe that the majority of these systems are based on, or support, a graph data model called the Labeled Property Graph (LPG), where vertices and edges can have arbitrarily complex sets of labels and properties. We then develop LPG2vec, an encoder that transforms an arbitrary LPG dataset into a representation that can be directly used with a broad class of GNNs, including convolutional, attentional, message-passing, and even higher-order or spectral models. In our evaluation, we show that the rich information represented as LPG labels and properties is properly preserved by LPG2vec, and it increases the accuracy of predictions regardless of the targeted learning task or the used GNN model, by up to 34% compared to graphs with no LPG labels/properties. In general, LPG2vec enables combining predictive power of the most powerful GNNs with the full scope of information encoded in the LPG model, paving the way for neural graph databases, a class of systems where the vast complexity of maintained data will benefit from modern and future graph machine learning methods.

We demonstrate the applicability of model-agnostic algorithms for meta-learning, specifically Reptile, to GNN models in molecular regression tasks. Using meta-learning we are able to learn new chemical prediction tasks with only a few model updates, as compared to using randomly initialized GNNs which require learning each regression task from scratch. We experimentally show that GNN layer expressivity is correlated to improved meta-learning. Additionally, we also experiment with GNN emsembles which yield best performance and rapid convergence for k-shot learning.

This work provides a Deep Reinforcement Learning approach to solving a periodic review inventory control system with stochastic vendor lead times, lost sales, correlated demand, and price matching. While this dynamic program has historically been considered intractable, our results show that several policy learning approaches are competitive with or outperform classical methods. In order to train these algorithms, we develop novel techniques to convert historical data into a simulator. On the theoretical side, we present learnability results on a subclass of inventory control problems, where we provide a provable reduction of the reinforcement learning problem to that of supervised learning. On the algorithmic side, we present a model-based reinforcement learning procedure (Direct Backprop) to solve the periodic review inventory control problem by constructing a differentiable simulator. Under a variety of metrics Direct Backprop outperforms model-free RL and newsvendor baselines, in both simulations and real-world deployments.

In this work we discuss the problem of active learning. We present an approach that is based on A-optimal experimental design of ill-posed problems and show how one can optimally label a data set by partially probing it, and use it to train a deep network. We present two approaches that make different assumptions on the data set. The first is based on a Bayesian interpretation of the semi-supervised learning problem with the graph Laplacian that is used for the prior distribution and the second is based on a frequentist approach, that updates the estimation of the bias term based on the recovery of the labels. We demonstrate that this approach can be highly efficient for estimating labels and training a deep network.

Simulation-based Bayesian inference (SBI) can be used to estimate the parameters of complex mechanistic models given observed model outputs without requiring access to explicit likelihood evaluations. A prime example for the application of SBI in neuroscience involves estimating the parameters governing the response dynamics of Hodgkin-Huxley (HH) models from electrophysiological measurements, by inferring a posterior over the parameters that is consistent with a set of observations. To this end, many SBI methods employ a set of summary statistics or scientifically interpretable features to estimate a surrogate likelihood or posterior. However, currently, there is no way to identify how much each summary statistic or feature contributes to reducing posterior uncertainty. To address this challenge, one could simply compare the posteriors with and without a given feature included in the inference process. However, for large or nested feature sets, this would necessitate repeatedly estimating the posterior, which is computationally expensive or even prohibitive. Here, we provide a more efficient approach based on the SBI method neural likelihood estimation (NLE): We show that one can marginalize the trained surrogate likelihood post-hoc before inferring the posterior to assess the contribution of a feature. We demonstrate the usefulness of our method by identifying the most important features for inferring parameters of an example HH neuron model. Beyond neuroscience, our method is generally applicable to SBI workflows that rely on data features for inference used in other scientific fields.

Deep generative models have become useful for synthetic data generation, particularly population synthesis. The models implicitly learn the probability distribution of a dataset and can draw samples from a distribution. Several models have been proposed, but their performance is only tested on a single cross-sectional sample. The implementation of population synthesis on single datasets is seen as a drawback that needs further studies to explore the robustness of the models on multiple datasets. While comparing with the real data can increase trust and interpretability of the models, techniques to evaluate deep generative models' robustness for population synthesis remain underexplored. In this study, we present bootstrap confidence interval for the deep generative models, an approach that computes efficient confidence intervals for mean errors predictions to evaluate the robustness of the models to multiple datasets. Specifically, we adopt the tabular-based Composite Travel Generative Adversarial Network (CTGAN) and Variational Autoencoder (VAE), to estimate the distribution of the population, by generating agents that have tabular data using several samples over time from the same study area. The models are implemented on multiple travel diaries of Montreal Origin- Destination Survey of 2008, 2013, and 2018 and compare the predictive performance under varying sample sizes from multiple surveys. Results show that the predictive errors of CTGAN have narrower confidence intervals indicating its robustness to multiple datasets of the varying sample sizes when compared to VAE. Again, the evaluation of model robustness against varying sample size shows a minimal decrease in model performance with decrease in sample size. This study directly supports agent-based modelling by enabling finer synthetic generation of populations in a reliable environment.

Increasing traffic demands, higher levels of automation, and communication enhancements provide novel design opportunities for future air traffic controllers (ATCs). This article presents a novel deep reinforcement learning (DRL) controller to aid conflict resolution for autonomous free flight. Although DRL has achieved important advancements in this field, the existing works pay little attention to the explainability and safety issues related to DRL controllers, particularly the safety under adversarial attacks. To address those two issues, we design a fully explainable DRL framework wherein we: 1) decompose the coupled Q value learning model into a safety-awareness and efficiency (reach the target) one; and 2) use information from surrounding intruders as inputs, eliminating the needs of central controllers. In our simulated experiments, we show that by decoupling the safety-awareness and efficiency, we can exceed performance on free flight control tasks while dramatically improving explainability on practical. In addition, the safety Q learning module provides rich information about the safety situation of environments. To study the safety under adversarial attacks, we additionally propose an adversarial attack strategy that can impose both safety-oriented and efficiency-oriented attacks. The adversarial aims to minimize safety/efficiency by only attacking the agent at a few time steps. In the experiments, our attack strategy increases as many collisions as the uniform attack (i.e., attacking at every time step) by only attacking the agent four times less often, which provide insights into the capabilities and restrictions of the DRL in future ATC designs. The source code is publicly available at https://github.com/WLeiiiii/Gym-ATC-Attack-Project.

Room impulse response (RIR) functions capture how the surrounding physical environment transforms the sounds heard by a listener, with implications for various applications in AR, VR, and robotics. Whereas traditional methods to estimate RIRs assume dense geometry and/or sound measurements throughout the environment, we explore how to infer RIRs based on a sparse set of images and echoes observed in the space. Towards that goal, we introduce a transformer-based method that uses self-attention to build a rich acoustic context, then predicts RIRs of arbitrary query source-receiver locations through cross-attention. Additionally, we design a novel training objective that improves the match in the acoustic signature between the RIR predictions and the targets. In experiments using a state-of-the-art audio-visual simulator for 3D environments, we demonstrate that our method successfully generates arbitrary RIRs, outperforming state-of-the-art methods and -- in a major departure from traditional methods -- generalizing to novel environments in a few-shot manner. Project: this http URL

Recently introduced Contrastive Language-Image Pre-Training (CLIP) bridges images and text by embedding them into a joint latent space. This opens the door to ample literature that aims to manipulate an input image by providing a textual explanation. However, due to the discrepancy between image and text embeddings in the joint space, using text embeddings as the optimization target often introduces undesired artifacts in the resulting images. Disentanglement, interpretability, and controllability are also hard to guarantee for manipulation. To alleviate these problems, we propose to define corpus subspaces spanned by relevant prompts to capture specific image characteristics. We introduce CLIP Projection-Augmentation Embedding (PAE) as an optimization target to improve the performance of text-guided image manipulation. Our method is a simple and general paradigm that can be easily computed and adapted, and smoothly incorporated into any CLIP-based image manipulation algorithm. To demonstrate the effectiveness of our method, we conduct several theoretical and empirical studies. As a case study, we utilize the method for text-guided semantic face editing. We quantitatively and qualitatively demonstrate that PAE facilitates a more disentangled, interpretable, and controllable image manipulation with state-of-the-art quality and accuracy.

Latent semantic analysis (LSA) and correspondence analysis (CA) are two techniques that use a singular value decomposition (SVD) for dimensionality reduction. LSA has been extensively used to obtain low-dimensional representations that capture relationships among documents and terms. In this article, we present a theoretical analysis and comparison of the two techniques in the context of document-term matrices. We show that CA has some attractive properties as compared to LSA, for instance that effects of margins, i.e. sums of row elements and column elements, arising from differing document-lengths and term-frequencies are effectively eliminated, so that the CA solution is optimally suited to focus on relationships among documents and terms. A unifying framework is proposed that includes both CA and LSA as special cases. We empirically compare CA to various LSA based methods on text categorization in English and authorship attribution on historical Dutch texts, and find that CA performs significantly better. We also apply CA to a long-standing question regarding the authorship of the Dutch national anthem Wilhelmus and provide further support that it can be attributed to the author Datheen, amongst several contenders.

Machine learning potentials are an important tool for molecular simulation, but their development is held back by a shortage of high quality datasets to train them on. We describe the SPICE dataset, a new quantum chemistry dataset for training potentials relevant to simulating drug-like small molecules interacting with proteins. It contains over 1.1 million conformations for a diverse set of small molecules, dimers, dipeptides, and solvated amino acids. It includes 15 elements, charged and uncharged molecules, and a wide range of covalent and non-covalent interactions. It provides both forces and energies calculated at the {\omega}B97M-D3(BJ)/def2-TZVPPD level of theory, along with other useful quantities such as multipole moments and bond orders. We train a set of machine learning potentials on it and demonstrate that they can achieve chemical accuracy across a broad region of chemical space. It can serve as a valuable resource for the creation of transferable, ready to use potential functions for use in molecular simulations.

In this paper we study the practicality and usefulness of incorporating distributed representations of graphs into models within the context of drug pair scoring. We argue that the real world growth and update cycles of drug pair scoring datasets subvert the limitations of transductive learning associated with distributed representations. Furthermore, we argue that the vocabulary of discrete substructure patterns induced over drug sets is not dramatically large due to the limited set of atom types and constraints on bonding patterns enforced by chemistry. Under this pretext, we explore the effectiveness of distributed representations of the molecular graphs of drugs in drug pair scoring tasks such as drug synergy, polypharmacy, and drug-drug interaction prediction. To achieve this, we present a methodology for learning and incorporating distributed representations of graphs within a unified framework for drug pair scoring. Subsequently, we augment a number of recent and state-of-the-art models to utilise our embeddings. We empirically show that the incorporation of these embeddings improves downstream performance of almost every model across different drug pair scoring tasks, even those the original model was not designed for. We publicly release all of our drug embeddings for the DrugCombDB, DrugComb, DrugbankDDI, and TwoSides datasets.

Blackbox adversarial attacks can be categorized into transfer- and query-based attacks. Transfer methods do not require any feedback from the victim model, but provide lower success rates compared to query-based methods. Query attacks often require a large number of queries for success. To achieve the best of both approaches, recent efforts have tried to combine them, but still require hundreds of queries to achieve high success rates (especially for targeted attacks). In this paper, we propose a novel method for Blackbox Attacks via Surrogate Ensemble Search (BASES) that can generate highly successful blackbox attacks using an extremely small number of queries. We first define a perturbation machine that generates a perturbed image by minimizing a weighted loss function over a fixed set of surrogate models. To generate an attack for a given victim model, we search over the weights in the loss function using queries generated by the perturbation machine. Since the dimension of the search space is small (same as the number of surrogate models), the search requires a small number of queries. We demonstrate that our proposed method achieves better success rate with at least 30x fewer queries compared to state-of-the-art methods on different image classifiers trained with ImageNet. In particular, our method requires as few as 3 queries per image (on average) to achieve more than a 90% success rate for targeted attacks and 1-2 queries per image for over a 99% success rate for untargeted attacks. Our method is also effective on Google Cloud Vision API and achieved a 91% untargeted attack success rate with 2.9 queries per image. We also show that the perturbations generated by our proposed method are highly transferable and can be adopted for hard-label blackbox attacks. We also show effectiveness of BASES for hiding attacks on object detectors.

We investigate the detection of botnet command and control (C2) hosts in massive IP traffic using machine learning methods. To this end, we use NetFlow data -- the industry standard for monitoring of IP traffic -- and ML models using two sets of features: conventional NetFlow variables and distributional features based on NetFlow variables. In addition to using static summaries of NetFlow features, we use quantiles of their IP-level distributions as input features in predictive models to predict whether an IP belongs to known botnet families. These models are used to develop intrusion detection systems to predict traffic traces identified with malicious attacks. The results are validated by matching predictions to existing denylists of published malicious IP addresses and deep packet inspection. The usage of our proposed novel distributional features, combined with techniques that enable modelling complex input feature spaces result in highly accurate predictions by our trained models.

Extraction of latent sources of complex stimuli is critical for making sense of the world. While the brain solves this blind source separation (BSS) problem continuously, its algorithms remain unknown. Previous work on biologically-plausible BSS algorithms assumed that observed signals are linear mixtures of statistically independent or uncorrelated sources, limiting the domain of applicability of these algorithms. To overcome this limitation, we propose novel biologically-plausible neural networks for the blind separation of potentially dependent/correlated sources. Differing from previous work, we assume some general geometric, not statistical, conditions on the source vectors allowing separation of potentially dependent/correlated sources. Concretely, we assume that the source vectors are sufficiently scattered in their domains which can be described by certain polytopes. Then, we consider recovery of these sources by the Det-Max criterion, which maximizes the determinant of the output correlation matrix to enforce a similar spread for the source estimates. Starting from this normative principle, and using a weighted similarity matching approach that enables arbitrary linear transformations adaptable by local learning rules, we derive two-layer biologically-plausible neural network algorithms that can separate mixtures into sources coming from a variety of source domains. We demonstrate that our algorithms outperform other biologically-plausible BSS algorithms on correlated source separation problems.

Machine Learning (ML) has achieved enormous success in solving a variety of problems in computer vision, speech recognition, object detection, to name a few. The principal reason for this success is the availability of huge datasets for training deep neural networks (DNNs). However, datasets cannot be publicly released if they contain sensitive information such as medical records, and data privacy becomes a major concern. Encryption methods could be a possible solution, however their deployment on ML applications seriously impacts classification accuracy and results in substantial computational overhead. Alternatively, obfuscation techniques could be used, but maintaining a good trade-off between visual privacy and accuracy is challenging. In this paper, we propose a method to generate secure synthetic datasets from the original private datasets. Given a network with Batch Normalization (BN) layers pretrained on the original dataset, we first record the class-wise BN layer statistics. Next, we generate the synthetic dataset by optimizing random noise such that the synthetic data match the layer-wise statistical distribution of original images. We evaluate our method on image classification datasets (CIFAR10, ImageNet) and show that synthetic data can be used in place of the original CIFAR10/ImageNet data for training networks from scratch, producing comparable classification performance. Further, to analyze visual privacy provided by our method, we use Image Quality Metrics and show high degree of visual dissimilarity between the original and synthetic images. Moreover, we show that our proposed method preserves data-privacy under various privacy-leakage attacks including Gradient Matching Attack, Model Memorization Attack, and GAN-based Attack.

In recent years, multilingual pre-trained language models have gained prominence due to their remarkable performance on numerous downstream Natural Language Processing tasks (NLP). However, pre-training these large multilingual language models requires a lot of training data, which is not available for African Languages. Active learning is a semi-supervised learning algorithm, in which a model consistently and dynamically learns to identify the most beneficial samples to train itself on, in order to achieve better optimization and performance on downstream tasks. Furthermore, active learning effectively and practically addresses real-world data scarcity. Despite all its benefits, active learning, in the context of NLP and especially multilingual language models pretraining, has received little consideration. In this paper, we present AfroLM, a multilingual language model pretrained from scratch on 23 African languages (the largest effort to date) using our novel self-active learning framework. Pretrained on a dataset significantly (14x) smaller than existing baselines, AfroLM outperforms many multilingual pretrained language models (AfriBERTa, XLMR-base, mBERT) on various NLP downstream tasks (NER, text classification, and sentiment analysis). Additional out-of-domain sentiment analysis experiments show that \textbf{AfroLM} is able to generalize well across various domains. We release the code source, and our datasets used in our framework at https://github.com/bonaventuredossou/MLM_AL.

While unsupervised skill discovery has shown promise in autonomously acquiring behavioral primitives, there is still a large methodological disconnect between task-agnostic skill pretraining and downstream, task-aware finetuning. We present Intrinsic Reward Matching (IRM), which unifies these two phases of learning via the $\textit{skill discriminator}$, a pretraining model component often discarded during finetuning. Conventional approaches finetune pretrained agents directly at the policy level, often relying on expensive environment rollouts to empirically determine the optimal skill. However, often the most concise yet complete description of a task is the reward function itself, and skill learning methods learn an $\textit{intrinsic}$ reward function via the discriminator that corresponds to the skill policy. We propose to leverage the skill discriminator to $\textit{match}$ the intrinsic and downstream task rewards and determine the optimal skill for an unseen task without environment samples, consequently finetuning with greater sample-efficiency. Furthermore, we generalize IRM to sequence skills and solve more complex, long-horizon tasks. We demonstrate that IRM enables us to utilize pretrained skills far more effectively than previous skill selection methods on the Unsupervised Reinforcement Learning Benchmark and on challenging tabletop manipulation tasks.

Previous analysis of regularized functional linear regression in a reproducing kernel Hilbert space (RKHS) typically requires the target function to be contained in this kernel space. This paper studies the convergence performance of divide-and-conquer estimators in the scenario that the target function does not necessarily reside in the underlying RKHS. As a decomposition-based scalable approach, the divide-and-conquer estimators of functional linear regression can substantially reduce the algorithmic complexities in time and memory. We develop an integral operator approach to establish sharp finite sample upper bounds for prediction with divide-and-conquer estimators under various regularity conditions of explanatory variables and target function. We also prove the asymptotic optimality of the derived rates by building the mini-max lower bounds. Finally, we consider the convergence of noiseless estimators and show that the rates can be arbitrarily fast under mild conditions.

Group equivariant convolutional neural networks (G-CNNs) have been successfully applied in geometric deep learning. Typically, G-CNNs have the advantage over CNNs that they do not waste network capacity on training symmetries that should have been hard-coded in the network. The recently introduced framework of PDE-based G-CNNs (PDE-G-CNNs) generalises G-CNNs. PDE-G-CNNs have the core advantages that they simultaneously 1) reduce network complexity, 2) increase classification performance, and 3) provide geometric interpretability. Their implementations primarily consist of linear and morphological convolutions with kernels. In this paper we show that the previously suggested approximative morphological kernels do not always accurately approximate the exact kernels accurately. More specifically, depending on the spatial anisotropy of the Riemannian metric, we argue that one must resort to sub-Riemannian approximations. We solve this problem by providing a new approximative kernel that works regardless of the anisotropy. We provide new theorems with better error estimates of the approximative kernels, and prove that they all carry the same reflectional symmetries as the exact ones. We test the effectiveness of multiple approximative kernels within the PDE-G-CNN framework on two datasets, and observe an improvement with the new approximative kernels. We report that the PDE-G-CNNs again allow for a considerable reduction of network complexity while having comparable or better performance than G-CNNs and CNNs on the two datasets. Moreover, PDE-G-CNNs have the advantage of better geometric interpretability over G-CNNs, as the morphological kernels are related to association fields from neurogeometry.

A powerful framework for studying graphs is to consider them as geometric graphs: nodes are randomly sampled from an underlying metric space, and any pair of nodes is connected if their distance is less than a specified neighborhood radius. Currently, the literature mostly focuses on uniform sampling and constant neighborhood radius. However, real-world graphs are likely to be better represented by a model in which the sampling density and the neighborhood radius can both vary over the latent space. For instance, in a social network communities can be modeled as densely sampled areas, and hubs as nodes with larger neighborhood radius. In this work, we first perform a rigorous mathematical analysis of this (more general) class of models, including derivations of the resulting graph shift operators. The key insight is that graph shift operators should be corrected in order to avoid potential distortions introduced by the non-uniform sampling. Then, we develop methods to estimate the unknown sampling density in a self-supervised fashion. Finally, we present exemplary applications in which the learnt density is used to 1) correct the graph shift operator and improve performance on a variety of tasks, 2) improve pooling, and 3) extract knowledge from networks. Our experimental findings support our theory and provide strong evidence for our model.

This paper introduces a deep neural network model for subband-based speech synthesizer. The model benefits from the short bandwidth of the subband signals to reduce the complexity of the time-domain speech generator. We employed the multi-level wavelet analysis/synthesis to decompose/reconstruct the signal into subbands in time domain. Inspired from the WaveNet, a convolutional neural network (CNN) model predicts subband speech signals fully in time domain. Due to the short bandwidth of the subbands, a simple network architecture is enough to train the simple patterns of the subbands accurately. In the ground truth experiments with teacher-forcing, the subband synthesizer outperforms the fullband model significantly in terms of both subjective and objective measures. In addition, by conditioning the model on the phoneme sequence using a pronunciation dictionary, we have achieved the fully time-domain neural model for subband-based text-to-speech (TTS) synthesizer, which is nearly end-to-end. The generated speech of the subband TTS shows comparable quality as the fullband one with a slighter network architecture for each subband.

Training highly performant deep neural networks (DNNs) typically requires the collection of a massive dataset and the use of powerful computing resources. Therefore, unauthorized redistribution of private pre-trained DNNs may cause severe economic loss for model owners. For protecting the ownership of DNN models, DNN watermarking schemes have been proposed by embedding secret information in a DNN model and verifying its presence for model ownership. However, existing DNN watermarking schemes compromise the model utility and are vulnerable to watermark removal attacks because a model is modified with a watermark. Alternatively, a new approach dubbed DEEPJUDGE was introduced to measure the similarity between a suspect model and a victim model without modifying the victim model. However, DEEPJUDGE would only be designed to detect the case where a suspect model's architecture is the same as a victim model's. In this work, we propose a novel DNN fingerprinting technique dubbed DEEPTASTER to prevent a new attack scenario in which a victim's data is stolen to build a suspect model. DEEPTASTER can effectively detect such data theft attacks even when a suspect model's architecture differs from a victim model's. To achieve this goal, DEEPTASTER generates a few adversarial images with perturbations, transforms them into the Fourier frequency domain, and uses the transformed images to identify the dataset used in a suspect model. The intuition is that those adversarial images can be used to capture the characteristics of DNNs built on a specific dataset. We evaluated the detection accuracy of DEEPTASTER on three datasets with three model architectures under various attack scenarios, including transfer learning, pruning, fine-tuning, and data augmentation. Overall, DEEPTASTER achieves a balanced accuracy of 94.95%, which is significantly better than 61.11% achieved by DEEPJUDGE in the same settings.

Lifelong learning (LL) is vital for advanced task-oriented dialogue (ToD) systems. To address the catastrophic forgetting issue of LL, generative replay methods are widely employed to consolidate past knowledge with generated pseudo samples. However, most existing generative replay methods use only a single task-specific token to control their models. This scheme is usually not strong enough to constrain the generative model due to insufficient information involved. In this paper, we propose a novel method, prompt conditioned VAE for lifelong learning (PCLL), to enhance generative replay by incorporating tasks' statistics. PCLL captures task-specific distributions with a conditional variational autoencoder, conditioned on natural language prompts to guide the pseudo-sample generation. Moreover, it leverages a distillation process to further consolidate past knowledge by alleviating the noise in pseudo samples. Experiments on natural language understanding tasks of ToD systems demonstrate that PCLL significantly outperforms competitive baselines in building LL models.

Problems which require both long-horizon planning and continuous control capabilities pose significant challenges to existing reinforcement learning agents. In this paper we introduce a novel hierarchical reinforcement learning agent which links temporally extended skills for continuous control with a forward model in a symbolic discrete abstraction of the environment's state for planning. We term our agent SEADS for Symbolic Effect-Aware Diverse Skills. We formulate an objective and corresponding algorithm which leads to unsupervised learning of a diverse set of skills through intrinsic motivation given a known state abstraction. The skills are jointly learned with the symbolic forward model which captures the effect of skill execution in the state abstraction. After training, we can leverage the skills as symbolic actions using the forward model for long-horizon planning and subsequently execute the plan using the learned continuous-action control skills. The proposed algorithm learns skills and forward models that can be used to solve complex tasks which require both continuous control and long-horizon planning capabilities with high success rate. It compares favorably with other flat and hierarchical reinforcement learning baseline agents and is successfully demonstrated with a real robot.

Standard multi-modal models assume the use of the same modalities in training and inference stages. However, in practice, the environment in which multi-modal models operate may not satisfy such assumption. As such, their performances degrade drastically if any modality is missing in the inference stage. We ask: how can we train a model that is robust to missing modalities? This paper seeks a set of good practices for multi-modal action recognition, with a particular interest in circumstances where some modalities are not available at an inference time. First, we study how to effectively regularize the model during training (e.g., data augmentation). Second, we investigate on fusion methods for robustness to missing modalities: we find that transformer-based fusion shows better robustness for missing modality than summation or concatenation. Third, we propose a simple modular network, ActionMAE, which learns missing modality predictive coding by randomly dropping modality features and tries to reconstruct them with the remaining modality features. Coupling these good practices, we build a model that is not only effective in multi-modal action recognition but also robust to modality missing. Our model achieves the state-of-the-arts on multiple benchmarks and maintains competitive performances even in missing modality scenarios. Codes are available at https://github.com/sangminwoo/ActionMAE.

We tackle the problem of aligning pre-trained large language models (LMs) with human preferences. If we view text generation as a sequential decision-making problem, reinforcement learning (RL) appears to be a natural conceptual framework. However, using RL for LM-based generation faces empirical challenges, including training instability due to the combinatorial action space, as well as a lack of open-source libraries and benchmarks customized for LM alignment. Thus, a question rises in the research community: is RL a practical paradigm for NLP? To help answer this, we first introduce an open-source modular library, RL4LMs (Reinforcement Learning for Language Models), for optimizing language generators with RL. The library consists of on-policy RL algorithms that can be used to train any encoder or encoder-decoder LM in the HuggingFace library (Wolf et al. 2020) with an arbitrary reward function. Next, we present the GRUE (General Reinforced-language Understanding Evaluation) benchmark, a set of 6 language generation tasks which are supervised not by target strings, but by reward functions which capture automated measures of human preference.GRUE is the first leaderboard-style evaluation of RL algorithms for NLP tasks. Finally, we introduce an easy-to-use, performant RL algorithm, NLPO (Natural Language Policy Optimization)} that learns to effectively reduce the combinatorial action space in language generation. We show 1) that RL techniques are generally better than supervised methods at aligning LMs to human preferences; and 2) that NLPO exhibits greater stability and performance than previous policy gradient methods (e.g., PPO (Schulman et al. 2017)), based on both automatic and human evaluation.

We introduce AVCAffe, the first Audio-Visual dataset consisting of Cognitive load and Affect attributes. We record AVCAffe by simulating remote work scenarios over a video-conferencing platform, where subjects collaborate to complete a number of cognitively engaging tasks. AVCAffe is the largest originally collected (not collected from the Internet) affective dataset in English language. We recruit 106 participants from 18 different countries of origin, spanning an age range of 18 to 57 years old, with a balanced male-female ratio. AVCAffe comprises a total of 108 hours of video, equivalent to more than 58,000 clips along with task-based self-reported ground truth labels for arousal, valence, and cognitive load attributes such as mental demand, temporal demand, effort, and a few others. We believe AVCAffe would be a challenging benchmark for the deep learning research community given the inherent difficulty of classifying affect and cognitive load in particular. Moreover, our dataset fills an existing timely gap by facilitating the creation of learning systems for better self-management of remote work meetings, and further study of hypotheses regarding the impact of remote work on cognitive load and affective states.

Data-driven predictive solutions predominant in commercial applications tend to suffer from biases and stereotypes, which raises equity concerns. Prediction models may discover, use, or amplify spurious correlations based on gender or other protected personal characteristics, thus discriminating against marginalized groups. Mitigating gender bias has become an important research focus in natural language processing (NLP) and is an area where annotated corpora are available. Data augmentation reduces gender bias by adding counterfactual examples to the training dataset. In this work, we show that some of the examples in the augmented dataset can be not important or even harmful for fairness. We hence propose a general method for pruning both the factual and counterfactual examples to maximize the model's fairness as measured by the demographic parity, equality of opportunity, and equality of odds. The fairness achieved by our method surpasses that of data augmentation on three text classification datasets, using no more than half of the examples in the augmented dataset. Our experiments are conducted using models of varying sizes and pre-training settings.

Neural networks have shown great predictive power when dealing with various unstructured data such as images and natural languages. The Bayesian neural network captures the uncertainty of prediction by putting a prior distribution for the parameter of the model and computing the posterior distribution. In this paper, we show that the Bayesian neural network using spike-and-slab prior has consistency with nearly minimax convergence rate when the true regression function is in the Besov space. Even when the smoothness of the regression function is unknown the same posterior convergence rate holds and thus the spike-and-slab prior is adaptive to the smoothness of the regression function. We also consider the shrinkage prior, which is more feasible than other priors, and show that it has the same convergence rate. In other words, we propose a practical Bayesian neural network with guaranteed asymptotic properties.

Federated learning enables multiple decentralized clients to learn collaboratively without sharing the local training data. However, the expensive annotation cost to acquire data labels on local clients remains an obstacle in utilizing local data. In this paper, we propose a federated active learning paradigm to efficiently learn a global model with limited annotation budget while protecting data privacy in a decentralized learning way. The main challenge faced by federated active learning is the mismatch between the active sampling goal of the global model on the server and that of the asynchronous local clients. This becomes even more significant when data is distributed non-IID across local clients. To address the aforementioned challenge, we propose Knowledge-Aware Federated Active Learning (KAFAL), which consists of Knowledge-Specialized Active Sampling (KSAS) and Knowledge-Compensatory Federated Update (KCFU). KSAS is a novel active sampling method tailored for the federated active learning problem. It deals with the mismatch challenge by sampling actively based on the discrepancies between local and global models. KSAS intensifies specialized knowledge in local clients, ensuring the sampled data to be informative for both the local clients and the global model. KCFU, in the meantime, deals with the client heterogeneity caused by limited data and non-IID data distributions. It compensates for each client's ability in weak classes by the assistance of the global model. Extensive experiments and analyses are conducted to show the superiority of KSAS over the state-of-the-art active learning methods and the efficiency of KCFU under the federated active learning framework.

In electronic health records (EHRs), irregular time-series (ITS) occur naturally due to patient health dynamics, reflected by irregular hospital visits, diseases/conditions and the necessity to measure different vitals signs at each visit etc. ITS present challenges in training machine learning algorithms which mostly are built on assumption of coherent fixed dimensional feature space. In this paper, we propose a novel COntinuous patient state PERceiver model, called COPER, to cope with ITS in EHRs. COPER uses Perceiver model and the concept of neural ordinary differential equations (ODEs) to learn the continuous time dynamics of patient state, i.e., continuity of input space and continuity of output space. The neural ODEs help COPER to generate regular time-series to feed to Perceiver model which has the capability to handle multi-modality large-scale inputs. To evaluate the performance of the proposed model, we use in-hospital mortality prediction task on MIMIC-III dataset and carefully design experiments to study irregularity. The results are compared with the baselines which prove the efficacy of the proposed model.

Rigid Point Cloud Registration (PCR) algorithms aim to estimate the 6-DOF relative motion between two point clouds, which is important in various fields, including autonomous driving. Recent years have seen a significant improvement in global PCR algorithms, i.e. algorithms that can handle a large relative motion. This has been demonstrated in various scenarios, including indoor scenes, but has only been minimally tested in the Automotive setting, where point clouds are produced by vehicle-mounted LiDAR sensors. In this work, we aim to answer questions that are important for automotive applications, including: which of the new algorithms is the most accurate, and which is fastest? How transferable are deep-learning approaches, e.g. what happens when you train a network with data from Boston, and run it in a vehicle in Singapore? How small can the overlap between point clouds be before the algorithms start to deteriorate? To what extent are the algorithms rotation invariant? Our results are at times surprising. When comparing robust parameter estimation methods for registration, we find that the fastest and most accurate is not one of the newest approaches. Instead, it is a modern variant of the well known RANSAC technique. We also suggest a new outlier filtering method, Grid-Prioritized Filtering (GPF), to further improve it. An additional contribution of this work is an algorithm for selecting challenging sets of frame-pairs from automotive LiDAR datasets. This enables meaningful benchmarking in the Automotive LiDAR setting, and can also improve training for learning algorithms.

Online data streams make training machine learning models hard because of distribution shift and new patterns emerging over time. For natural language processing (NLP) tasks that utilize a collection of features based on lexicons and rules, it is important to adapt these features to the changing data. To address this challenge we introduce PyTAIL, a python library, which allows a human in the loop approach to actively train NLP models. PyTAIL enhances generic active learning, which only suggests new instances to label by also suggesting new features like rules and lexicons to label. Furthermore, PyTAIL is flexible enough for users to accept, reject, or update rules and lexicons as the model is being trained. Finally, we simulate the performance of PyTAIL on existing social media benchmark datasets for text classification. We compare various active learning strategies on these benchmarks. The model closes the gap with as few as 10% of the training data. Finally, we also highlight the importance of tracking evaluation metric on remaining data (which is not yet merged with active learning) alongside the test dataset. This highlights the effectiveness of the model in accurately annotating the remaining dataset, which is especially suitable for batch processing of large unlabelled corpora. PyTAIL will be available at https://github.com/socialmediaie/pytail.

Recognizing out-of-distribution (OOD) samples is critical for machine learning systems deployed in the open world. The vast majority of OOD detection methods are driven by a single modality (e.g., either vision or language), leaving the rich information in multi-modal representations untapped. Inspired by the recent success of vision-language pre-training, this paper enriches the landscape of OOD detection from a single-modal to a multi-modal regime. Particularly, we propose Maximum Concept Matching (MCM), a simple yet effective zero-shot OOD detection method based on aligning visual features with textual concepts. We contribute in-depth analysis and theoretical insights to understand the effectiveness of MCM. Extensive experiments demonstrate that MCM achieves superior performance on a wide variety of real-world tasks. MCM with vision-language features outperforms a common baseline with pure visual features on a hard OOD task with semantically similar classes by 13.1% (AUROC). Code is available at https://github.com/deeplearning-wisc/MCM.

Many real-world recognition problems are characterized by long-tailed label distributions. These distributions make representation learning highly challenging due to limited generalization over the tail classes. If the test distribution differs from the training distribution, e.g. uniform versus long-tailed, the problem of the distribution-shift needs to be addressed. A recent line of work proposes learning multiple diverse experts to tackle this issue. Ensemble diversity is encouraged by various techniques, e.g. by specializing different experts on the head and the tail classes. In this work, we take an analytical approach, and extend the notion of logit adjustment to ensembles to form a Balanced Product of Experts (BalPoE). BalPoE generalizes several previous approaches, and combines a family of experts with different test-time target distributions. We show how to properly define these distributions and combine the experts in order to achieve unbiased predictions, by proving that the ensemble is Fisher-consistent for minimizing the balanced error. Our theoretical analysis shows that our balanced ensemble requires calibrated experts, which we achieve in practice using mixup. We conduct extensive experiments and our method obtains new state-of-the-art results on three long-tailed datasets: CIFAR-100-LT, ImageNet-LT and iNaturalist-2018. Our code will be released upon paper acceptance.

There is a growing concern about typically opaque decision-making with high-performance machine learning algorithms. Providing an explanation of the reasoning process in domain-specific terms can be crucial for adoption in risk-sensitive domains such as healthcare. We argue that machine learning algorithms should be interpretable by design and that the language in which these interpretations are expressed should be domain- and task-dependent. Consequently, we base our model's prediction on a family of user-defined and task-specific binary functions of the data, each having a clear interpretation to the end-user. We then minimize the expected number of queries needed for accurate prediction on any given input. As the solution is generally intractable, following prior work, we choose the queries sequentially based on information gain. However, in contrast to previous work, we need not assume the queries are conditionally independent. Instead, we leverage a stochastic generative model (VAE) and an MCMC algorithm (Unadjusted Langevin) to select the most informative query about the input based on previous query-answers. This enables the online determination of a query chain of whatever depth is required to resolve prediction ambiguities. Finally, experiments on vision and NLP tasks demonstrate the efficacy of our approach and its superiority over post-hoc explanations.

Information-directed sampling (IDS) has revealed its potential as a data-efficient algorithm for reinforcement learning (RL). However, theoretical understanding of IDS for Markov Decision Processes (MDPs) is still limited. We develop novel information-theoretic tools to bound the information ratio and cumulative information gain about the learning target. Our theoretical results shed light on the importance of choosing the learning target such that the practitioners can balance the computation and regret bounds. As a consequence, we derive prior-free Bayesian regret bounds for vanilla-IDS which learns the whole environment under tabular finite-horizon MDPs. In addition, we propose a computationally-efficient regularized-IDS that maximizes an additive form rather than the ratio form and show that it enjoys the same regret bound as vanilla-IDS. With the aid of rate-distortion theory, we improve the regret bound by learning a surrogate, less informative environment. Furthermore, we extend our analysis to linear MDPs and prove similar regret bounds for Thompson sampling as a by-product.

Existing benchmarks for grounding language in interactive environments either lack real-world linguistic elements, or prove difficult to scale up due to substantial human involvement in the collection of data or feedback signals. To bridge this gap, we develop WebShop -- a simulated e-commerce website environment with $1.18$ million real-world products and $12,087$ crowd-sourced text instructions. Given a text instruction specifying a product requirement, an agent needs to navigate multiple types of webpages and issue diverse actions to find, customize, and purchase an item. WebShop provides several challenges for language grounding including understanding compositional instructions, query (re-)formulation, comprehending and acting on noisy text in webpages, and performing strategic exploration. We collect over $1,600$ human demonstrations for the task, and train and evaluate a diverse range of agents using reinforcement learning, imitation learning, and pre-trained image and language models. Our best model achieves a task success rate of $29\%$, which outperforms rule-based heuristics ($9.6\%$) but is far lower than human expert performance ($59\%$). We also analyze agent and human trajectories and ablate various model components to provide insights for developing future agents with stronger language understanding and decision making abilities. Finally, we show that agents trained on WebShop exhibit non-trivial sim-to-real transfer when evaluated on amazon.com and ebay.com, indicating the potential value of WebShop in developing practical web-based agents that can operate in the wild.

In multi-label classification, each example in a dataset may be annotated as belonging to one or more classes (or none of the classes). Example applications include image (or document) tagging where each possible tag either applies to a particular image (or document) or not. With many possible classes to consider, data annotators are likely to make errors when labeling such data in practice. Here we consider algorithms for finding mislabeled examples in multi-label classification datasets. We propose an extension of the Confident Learning framework to this setting, as well as a label quality score that ranks examples with label errors much higher than those which are correctly labeled. Both approaches can utilize any trained classifier. After demonstrating that our methodology empirically outperforms other algorithms for label error detection, we apply our approach to discover many label errors in the CelebA image tagging dataset.

Current state-of-the-art vision-and-language models are evaluated on tasks either individually or in a multi-task setting, overlooking the challenges of continually learning (CL) tasks as they arrive. Existing CL benchmarks have facilitated research on task adaptation and mitigating "catastrophic forgetting", but are limited to vision-only and language-only tasks. We present CLiMB, a benchmark to study the challenge of learning multimodal tasks in a CL setting, and to systematically evaluate how upstream continual learning can rapidly generalize to new multimodal and unimodal tasks. CLiMB includes implementations of several CL algorithms and a modified Vision-Language Transformer (ViLT) model that can be deployed on both multimodal and unimodal tasks. We find that common CL methods can help mitigate forgetting during multimodal task learning, but do not enable cross-task knowledge transfer. We envision that CLiMB will facilitate research on a new class of CL algorithms for this challenging multimodal setting.

We introduce new planning and reinforcement learning algorithms for discounted MDPs that utilize an approximate model of the environment to accelerate the convergence of the value function. Inspired by the splitting approach in numerical linear algebra, we introduce Operator Splitting Value Iteration (OS-VI) for both Policy Evaluation and Control problems. OS-VI achieves a much faster convergence rate when the model is accurate enough. We also introduce a sample-based version of the algorithm called OS-Dyna. Unlike the traditional Dyna architecture, OS-Dyna still converges to the correct value function in presence of model approximation error.

Due to the lack of a method to efficiently represent the multimodal information of a protein, including its structure and sequence information, predicting compound-protein binding affinity (CPA) still suffers from low accuracy when applying machine learning methods. To overcome this limitation, in a novel end-to-end architecture (named FeatNN), we develop a coevolutionary strategy to jointly represent the structure and sequence features of proteins and ultimately optimize the mathematical models for predicting CPA. Furthermore, from the perspective of data-driven approach, we proposed a rational method that can utilize both high- and low-quality databases to optimize the accuracy and generalization ability of FeatNN in CPA prediction tasks. Notably, we visually interpret the feature interaction process between sequence and structure in the rationally designed architecture. As a result, FeatNN considerably outperforms the state-of-the-art (SOTA) baseline in virtual drug screening tasks, indicating the feasibility of this approach for practical use. FeatNN provides an outstanding method for higher CPA prediction accuracy and better generalization ability by efficiently representing multimodal information of proteins via a coevolutionary strategy.

In general, convolutional neural networks (CNNs) are easy to train, but their essential properties, such as generalization error and adversarial robustness, are hard to control. Recent research demonstrated that singular values of convolutional layers significantly affect such elusive properties and offered several methods for controlling them. Nevertheless, these methods present an intractable computational challenge or resort to coarse approximations. In this paper, we offer a principled approach to alleviating constraints of the prior art at the expense of an insignificant reduction in layer expressivity. Our method is based on the tensor-train decomposition; it retains control over the actual singular values of convolutional mappings while providing structurally sparse and hardware-friendly representation. We demonstrate the improved properties of modern CNNs with our method and analyze its impact on the model performance, calibration, and adversarial robustness. The source code is available at: https://github.com/WhiteTeaDragon/practical_svd_conv

Offline reinforcement learning, which aims at optimizing sequential decision-making strategies with historical data, has been extensively applied in real-life applications. State-Of-The-Art algorithms usually leverage powerful function approximators (e.g. neural networks) to alleviate the sample complexity hurdle for better empirical performances. Despite the successes, a more systematic understanding of the statistical complexity for function approximation remains lacking. Towards bridging the gap, we take a step by considering offline reinforcement learning with differentiable function class approximation (DFA). This function class naturally incorporates a wide range of models with nonlinear/nonconvex structures. Most importantly, we show offline RL with differentiable function approximation is provably efficient by analyzing the pessimistic fitted Q-learning (PFQL) algorithm, and our results provide the theoretical basis for understanding a variety of practical heuristics that rely on Fitted Q-Iteration style design. In addition, we further improve our guarantee with a tighter instance-dependent characterization. We hope our work could draw interest in studying reinforcement learning with differentiable function approximation beyond the scope of current research.

Decoders built on Gaussian processes (GPs) are enticing due to the marginalisation over the non-linear function space. Such models (also known as GP-LVMs) are often expensive and notoriously difficult to train in practice, but can be scaled using variational inference and inducing points. In this paper, we revisit active set approximations. We develop a new stochastic estimate of the log-marginal likelihood based on recently discovered links to cross-validation, and propose a computationally efficient approximation thereof. We demonstrate that the resulting stochastic active sets (SAS) approximation significantly improves the robustness of GP decoder training while reducing computational cost. The SAS-GP obtains more structure in the latent space, scales to many datapoints and learns better representations than variational autoencoders, which is rarely the case for GP decoders.

Machine learning (ML) models have been deployed for high-stakes applications. Due to class imbalance in the sensitive attribute observed in the datasets, ML models are unfair on minority subgroups identified by a sensitive attribute, such as race and sex. In-processing fairness algorithms ensure model predictions are independent of sensitive attribute. Furthermore, ML models are vulnerable to attribute inference attacks where an adversary can identify the values of sensitive attribute by exploiting their distinguishable model predictions. Despite privacy and fairness being important pillars of trustworthy ML, the privacy risk introduced by fairness algorithms with respect to attribute leakage has not been studied. We identify attribute inference attacks as an effective measure for auditing blackbox fairness algorithms to enable model builder to account for privacy and fairness in the model design. We proposed Dikaios, a privacy auditing tool for fairness algorithms for model builders which leveraged a new effective attribute inference attack that account for the class imbalance in sensitive attributes through an adaptive prediction threshold. We evaluated Dikaios to perform a privacy audit of two in-processing fairness algorithms over five datasets. We show that our attribute inference attacks with adaptive prediction threshold significantly outperform prior attacks. We highlighted the limitations of in-processing fairness algorithms to ensure indistinguishable predictions across different values of sensitive attributes. Indeed, the attribute privacy risk of these in-processing fairness schemes is highly variable according to the proportion of the sensitive attributes in the dataset. This unpredictable effect of fairness mechanisms on the attribute privacy risk is an important limitation on their utilization which has to be accounted by the model builder.

We explore the application of a nonlinear MCMC technique first introduced in [1] to problems in Bayesian machine learning. We provide a convergence guarantee in total variation that uses novel results for long-time convergence and large-particle ("propagation of chaos") convergence. We apply this nonlinear MCMC technique to sampling problems including a Bayesian neural network on CIFAR10.

The Synthetic Control method has pioneered a class of powerful data-driven techniques to estimate the counterfactual reality of a unit from donor units. At its core, the technique involves a linear model fitted on the pre-intervention period that combines donor outcomes to yield the counterfactual. However, linearly combining spatial information at each time instance using time-agnostic weights fails to capture important inter-unit and intra-unit temporal contexts and complex nonlinear dynamics of real data. We instead propose an approach to use local spatiotemporal information before the onset of the intervention as a promising way to estimate the counterfactual sequence. To this end, we suggest a Transformer model that leverages particular positional embeddings, a modified decoder attention mask, and a novel pre-training task to perform spatiotemporal sequence-to-sequence modeling. Our experiments on synthetic data demonstrate the efficacy of our method in the typical small donor pool setting and its robustness against noise. We also generate actionable healthcare insights at the population and patient levels by simulating a state-wide public health policy to evaluate its effectiveness, an in silico trial for asthma medications to support randomized controlled trials, and a medical intervention for patients with Friedreich's ataxia to improve clinical decision-making and promote personalized therapy.

Inspired by biological neurons, the activation functions play an essential part in the learning process of any artificial neural network commonly used in many real-world problems. Various activation functions have been proposed in the literature for classification as well as regression tasks. In this work, we survey the activation functions that have been employed in the past as well as the current state-of-the-art. In particular, we present various developments in activation functions over the years and the advantages as well as disadvantages or limitations of these activation functions. We also discuss classical (fixed) activation functions, including rectifier units, and adaptive activation functions. In addition to presenting the taxonomy of activation functions based on characterization, a taxonomy of activation functions based on applications is also presented. To this end, the systematic comparison of various fixed and adaptive activation functions is performed for classification data sets such as the MNIST, CIFAR-10, and CIFAR-100. In recent years, a physics-informed machine learning framework has emerged for solving problems related to scientific computations. To this purpose, we also discuss various requirements for activation functions that have been used in the physics-informed machine learning framework. Furthermore, various comparisons are made among different fixed and adaptive activation functions using various machine learning libraries such as TensorFlow, Pytorch, and JAX.

Inferring causal structure from data is a challenging task of fundamental importance in science. Observational data are often insufficient to identify a system's causal structure uniquely. While conducting interventions (i.e., experiments) can improve the identifiability, such samples are usually challenging and expensive to obtain. Hence, experimental design approaches for causal discovery aim to minimize the number of interventions by estimating the most informative intervention target. In this work, we propose a novel Gradient-based Intervention Targeting method, abbreviated GIT, that 'trusts' the gradient estimator of a gradient-based causal discovery framework to provide signals for the intervention acquisition function. We provide extensive experiments in simulated and real-world datasets and demonstrate that GIT performs on par with competitive baselines, surpassing them in the low-data regime.

We consider representation learning of 3D molecular graphs in which each atom is associated with a spatial position in 3D. This is an under-explored area of research, and a principled message passing framework is currently lacking. In this work, we conduct analyses in the spherical coordinate system (SCS) for the complete identification of 3D graph structures. Based on such observations, we propose the spherical message passing (SMP) as a novel and powerful scheme for 3D molecular learning. SMP dramatically reduces training complexity, enabling it to perform efficiently on large-scale molecules. In addition, SMP is capable of distinguishing almost all molecular structures, and the uncovered cases may not exist in practice. Based on meaningful physically-based representations of 3D information, we further propose the SphereNet for 3D molecular learning. Experimental results demonstrate that the use of meaningful 3D information in SphereNet leads to significant performance improvements in prediction tasks. Our results also demonstrate the advantages of SphereNet in terms of capability, efficiency, and scalability. Our code is publicly available as part of the DIG library (https://github.com/divelab/DIG).

In this paper, we move towards combining large parametric models with non-parametric prototypical networks. We propose prototypical fine-tuning, a novel prototypical framework for fine-tuning pretrained language models (LM), which automatically learns a bias to improve predictive performance for varying data sizes, especially low-resource settings. Our prototypical fine-tuning approach can automatically adjust the model capacity according to the number of data points and the model's inherent attributes. Moreover, we propose four principles for effective prototype fine-tuning towards the optimal solution. Experimental results across various datasets show that our work achieves significant performance improvements under various low-resource settings, as well as comparable and usually better performances in high-resource scenarios.

Feature matching is a challenging computer vision task that involves finding correspondences between two images of a 3D scene. In this paper we consider the dense approach instead of the more common sparse paradigm, thus striving to find all correspondences. Perhaps counter-intuitively, dense methods have previously shown inferior performance to their sparse and semi-sparse counterparts for estimation of two-view geometry. This changes with our novel dense method, which outperforms both dense and sparse methods on geometry estimation. The novelty is threefold: First, we propose a kernel regression global matcher. Secondly, we propose warp refinement through stacked feature maps and depthwise convolution kernels. Thirdly, we propose learning dense confidence through consistent depth and a balanced sampling approach for dense confidence maps. Through extensive experiments we confirm that our proposed dense method, \textbf{D}ense \textbf{K}ernelized Feature \textbf{M}atching, sets a new state-of-the-art on multiple geometry estimation benchmarks. In particular, we achieve an improvement on MegaDepth-1500 of +4.9 and +8.9 AUC$@5^{\circ}$ compared to the best previous sparse method and dense method respectively. Our code is provided at https://github.com/Parskatt/dkm

SATNet is a differentiable constraint solver with a custom backpropagation algorithm, which can be used as a layer in a deep-learning system. It is a promising proposal for bridging deep learning and logical reasoning. In fact, SATNet has been successfully applied to learn, among others, the rules of a complex logical puzzle, such as Sudoku, just from input and output pairs where inputs are given as images. In this paper, we show how to improve the learning of SATNet by exploiting symmetries in the target rules of a given but unknown logical puzzle or more generally a logical formula. We present SymSATNet, a variant of SATNet that translates the given symmetries of the target rules to a condition on the parameters of SATNet and requires that the parameters should have a particular parametric form that guarantees the condition. The requirement dramatically reduces the number of parameters to learn for the rules with enough symmetries, and makes the parameter learning of SymSATNet much easier than that of SATNet. We also describe a technique for automatically discovering symmetries of the target rules from examples. Our experiments with Sudoku and Rubik's cube show the substantial improvement of SymSATNet over the baseline SATNet.

The rapid progress of machine learning interatomic potentials over the past couple of years produced a number of new architectures. Particularly notable among these are the Atomic Cluster Expansion (ACE), which unified many of the earlier ideas around atom density-based descriptors, and Neural Equivariant Interatomic Potentials (NequIP), a message passing neural network with equivariant features that showed state of the art accuracy. In this work, we construct a mathematical framework that unifies these models: ACE is generalised so that it can be recast as one layer of a multi-layer architecture. From another point of view, the linearised version of NequIP is understood as a particular sparsification of a much larger polynomial model. Our framework also provides a practical tool for systematically probing different choices in the unified design space. We demonstrate this by an ablation study of NequIP via a set of experiments looking at in- and out-of-domain accuracy and smooth extrapolation very far from the training data, and shed some light on which design choices are critical for achieving high accuracy. Finally, we present BOTNet (Body-Ordered-Tensor-Network), a much-simplified version of NequIP, which has an interpretable architecture and maintains accuracy on benchmark datasets.

Visual search is a ubiquitous challenge in natural vision, including daily tasks such as finding a friend in a crowd or searching for a car in a parking lot. Human rely heavily on relevant target features to perform goal-directed visual search. Meanwhile, context is of critical importance for locating a target object in complex scenes as it helps narrow down the search area and makes the search process more efficient. However, few works have combined both target and context information in visual search computational models. Here we propose a zero-shot deep learning architecture, TCT (Target and Context-aware Transformer), that modulates self attention in the Vision Transformer with target and contextual relevant information to enable human-like zero-shot visual search performance. Target modulation is computed as patch-wise local relevance between the target and search images, whereas contextual modulation is applied in a global fashion. We conduct visual search experiments on TCT and other competitive visual search models on three natural scene datasets with varying levels of difficulty. TCT demonstrates human-like performance in terms of search efficiency and beats the SOTA models in challenging visual search tasks. Importantly, TCT generalizes well across datasets with novel objects without retraining or fine-tuning. Furthermore, we also introduce a new dataset to benchmark models for invariant visual search under incongruent contexts. TCT manages to search flexibly via target and context modulation, even under incongruent contexts.

Dermatological classification algorithms developed without sufficiently diverse training data may generalize poorly across populations. While intentional data collection and annotation offer the best means for improving representation, new computational approaches for generating training data may also aid in mitigating the effects of sampling bias. In this paper, we show that DALL$\cdot$E 2, a large-scale text-to-image diffusion model, can produce photorealistic images of skin disease across skin types. Using the Fitzpatrick 17k dataset as a benchmark, we demonstrate that augmenting training data with DALL$\cdot$E 2-generated synthetic images improves classification of skin disease overall and especially for underrepresented groups.

Evaluating new techniques on realistic datasets plays a crucial role in the development of ML research and its broader adoption by practitioners. In recent years, there has been a significant increase of publicly available unstructured data resources for computer vision and NLP tasks. However, tabular data -- which is prevalent in many high-stakes domains -- has been lagging behind. To bridge this gap, we present Bank Account Fraud (BAF), the first publicly available 1 privacy-preserving, large-scale, realistic suite of tabular datasets. The suite was generated by applying state-of-the-art tabular data generation techniques on an anonymized,real-world bank account opening fraud detection dataset. This setting carries a set of challenges that are commonplace in real-world applications, including temporal dynamics and significant class imbalance. Additionally, to allow practitioners to stress test both performance and fairness of ML methods, each dataset variant of BAF contains specific types of data bias. With this resource, we aim to provide the research community with a more realistic, complete, and robust test bed to evaluate novel and existing methods.

Unintended memorization of various information granularity has garnered academic attention in recent years, e.g. membership inference and property inference. How to inversely use this privacy leakage to facilitate real-world applications is a growing direction; the current efforts include dataset ownership inference and user auditing. Standing on the data lifecycle and ML model production, we propose an inference process named Data Provenance Inference, which is to infer the generation, collection or processing property of the ML training data, to assist ML developers in locating the training data gaps without maintaining strenuous metadata. We formularly define the data provenance and the data provenance inference task in ML training. Then we propose a novel inference strategy combining embedded-space multiple instance classification and shadow learning. Comprehensive evaluations cover language, visual and structured data in black-box and white-box settings, with diverse kinds of data provenance (i.e. business, county, movie, user). Our best inference accuracy achieves 98.96% in the white-box text model when "author" is the data provenance. The experimental results indicate that, in general, the inference performance positively correlated with the amount of reference data for inference, the depth and also the amount of the parameter of the accessed layer. Furthermore, we give a post-hoc statistical analysis of the data provenance definition to explain when our proposed method works well.

Bayesian neural networks (BNNs) have been an important framework in the study of uncertainty quantification. Deterministic variational inference, one of the inference methods, utilizes moment propagation to compute the predictive distributions and objective functions. Unfortunately, deriving the moments requires computationally expensive Taylor expansion in nonlinear functions, such as a rectified linear unit (ReLU) or a sigmoid function. Therefore, a new nonlinear function that realizes faster moment propagation than conventional functions is required. In this paper, we propose a novel nonlinear function named moment propagating-Gaussian error linear unit (MP-GELU) that enables the fast derivation of first and second moments in BNNs. MP-GELU enables the analytical computation of moments by applying nonlinearity to the input statistics, thereby reducing the computationally expensive calculations required for nonlinear functions. In empirical experiments on regression tasks, we observed that the proposed MP-GELU provides higher prediction accuracy and better quality of uncertainty with faster execution than those of ReLU-based BNNs.

Leveraging transfer learning has recently been shown to be an effective strategy for training large models with Differential Privacy (DP). Moreover, somewhat surprisingly, recent works have found that privately training just the last layer of a pre-trained model provides the best utility with DP. While past studies largely rely on algorithms like DP-SGD for training large models, in the specific case of privately learning from features, we observe that computational burden is low enough to allow for more sophisticated optimization schemes, including second-order methods. To that end, we systematically explore the effect of design parameters such as loss function and optimization algorithm. We find that, while commonly used logistic regression performs better than linear regression in the non-private setting, the situation is reversed in the private setting. We find that linear regression is much more effective than logistic regression from both privacy and computational aspects, especially at stricter epsilon values ($\epsilon < 1$). On the optimization side, we also explore using Newton's method, and find that second-order information is quite helpful even with privacy, although the benefit significantly diminishes with stricter privacy guarantees. While both methods use second-order information, least squares is effective at lower epsilons while Newton's method is effective at larger epsilon values. To combine the benefits of both, we propose a novel algorithm called DP-FC, which leverages feature covariance instead of the Hessian of the logistic regression loss and performs well across all $\epsilon$ values we tried. With this, we obtain new SOTA results on ImageNet-1k, CIFAR-100 and CIFAR-10 across all values of $\epsilon$ typically considered. Most remarkably, on ImageNet-1K, we obtain top-1 accuracy of 88\% under (8, $8 * 10^{-7}$)-DP and 84.3\% under (0.1, $8 * 10^{-7}$)-DP.

We introduce the first work to explore web-scale diffusion models for robotics. DALL-E-Bot enables a robot to rearrange objects in a scene, by first inferring a text description of those objects, then generating an image representing a natural, human-like arrangement of those objects, and finally physically arranging the objects according to that image. The significance is that we achieve this zero-shot using DALL-E, without needing any further data collection or training. Encouraging real-world results with human studies show that this is a promising direction for the future of web-scale robot learning. We also propose a list of recommendations to the text-to-image community, to align further developments of these models with applications to robotics.

Weak supervision (WS) is a rich set of techniques that produce pseudolabels by aggregating easily obtained but potentially noisy label estimates from a variety of sources. WS is theoretically well understood for binary classification, where simple approaches enable consistent estimation of pseudolabel noise rates. Using this result, it has been shown that downstream models trained on the pseudolabels have generalization guarantees nearly identical to those trained on clean labels. While this is exciting, users often wish to use WS for structured prediction, where the output space consists of more than a binary or multi-class label set: e.g. rankings, graphs, manifolds, and more. Do the favorable theoretical properties of WS for binary classification lift to this setting? We answer this question in the affirmative for a wide range of scenarios. For labels taking values in a finite metric space, we introduce techniques new to weak supervision based on pseudo-Euclidean embeddings and tensor decompositions, providing a nearly-consistent noise rate estimator. For labels in constant-curvature Riemannian manifolds, we introduce new invariants that also yield consistent noise rate estimation. In both cases, when using the resulting pseudolabels in concert with a flexible downstream model, we obtain generalization guarantees nearly identical to those for models trained on clean data. Several of our results, which can be viewed as robustness guarantees in structured prediction with noisy labels, may be of independent interest. Empirical evaluation validates our claims and shows the merits of the proposed method.

Recent work has shown the potential of graph neural networks to efficiently predict material properties, enabling high-throughput screening of materials. Training these models, however, often requires large quantities of labelled data, obtained via costly methods such as ab initio calculations or experimental evaluation. By leveraging a series of material-specific transformations, we introduce CrystalCLR, a framework for constrastive learning of representations with crystal graph neural networks. With the addition of a novel loss function, our framework is able to learn representations competitive with engineered fingerprinting methods. We also demonstrate that via model finetuning, contrastive pretraining can improve the performance of graph neural networks for prediction of material properties and significantly outperform traditional ML models that use engineered fingerprints. Lastly, we observe that CrystalCLR produces material representations that form clusters by compound class.

ML-based Phishing URL (MLPU) detectors serve as the first level of defence to protect users and organisations from being victims of phishing attacks. Lately, few studies have launched successful adversarial attacks against specific MLPU detectors raising questions about their practical reliability and usage. Nevertheless, the robustness of these systems has not been extensively investigated. Therefore, the security vulnerabilities of these systems, in general, remain primarily unknown which calls for testing the robustness of these systems. In this article, we have proposed a methodology to investigate the reliability and robustness of 50 representative state-of-the-art MLPU models. Firstly, we have proposed a cost-effective Adversarial URL generator URLBUG that created an Adversarial URL dataset. Subsequently, we reproduced 50 MLPU (traditional ML and Deep learning) systems and recorded their baseline performance. Lastly, we tested the considered MLPU systems on Adversarial Dataset and analyzed their robustness and reliability using box plots and heat maps. Our results showed that the generated adversarial URLs have valid syntax and can be registered at a median annual price of \$11.99. Out of 13\% of the already registered adversarial URLs, 63.94\% were used for malicious purposes. Moreover, the considered MLPU models Matthew Correlation Coefficient (MCC) dropped from a median 0.92 to 0.02 when tested against $Adv_\mathrm{data}$, indicating that the baseline MLPU models are unreliable in their current form. Further, our findings identified several security vulnerabilities of these systems and provided future directions for researchers to design dependable and secure MLPU systems.

In the research area of reinforcement learning (RL), frequently novel and promising methods are developed and introduced to the RL community. However, although many researchers are keen to apply their methods on real-world problems, implementing such methods in real industry environments often is a frustrating and tedious process. Generally, academic research groups have only limited access to real industrial data and applications. For this reason, new methods are usually developed, evaluated and compared by using artificial software benchmarks. On one hand, these benchmarks are designed to provide interpretable RL training scenarios and detailed insight into the learning process of the method on hand. On the other hand, they usually do not share much similarity with industrial real-world applications. For this reason we used our industry experience to design a benchmark which bridges the gap between freely available, documented, and motivated artificial benchmarks and properties of real industrial problems. The resulting industrial benchmark (IB) has been made publicly available to the RL community by publishing its Java and Python code, including an OpenAI Gym wrapper, on Github. In this paper we motivate and describe in detail the IB's dynamics and identify prototypic experimental settings that capture common situations in real-world industry control problems.

A recurrent neural network (RNN) is a widely used deep-learning network for dealing with sequential data. Imitating a dynamical system, an infinite-width RNN can approximate any open dynamical system in a compact domain. In general, deep networks with bounded widths are more effective than wide networks in practice; however, the universal approximation theorem for deep narrow structures has yet to be extensively studied. In this study, we prove the universality of deep narrow RNNs and show that the upper bound of the minimum width for universality can be independent of the length of the data. Specifically, we show that a deep RNN with ReLU activation can approximate any continuous function or $L^p$ function with the widths $d_x+d_y+2$ and $\max\{d_x+1,d_y\}$, respectively, where the target function maps a finite sequence of vectors in $\mathbb{R}^{d_x}$ to a finite sequence of vectors in $\mathbb{R}^{d_y}$. We also compute the additional width required if the activation function is $\tanh$ or more. In addition, we prove the universality of other recurrent networks, such as bidirectional RNNs. Bridging a multi-layer perceptron and an RNN, our theory and proof technique can be an initial step toward further research on deep RNNs.

We present a novel neural network architecture using self-attention, the Wavefunction Transformer (Psiformer), which can be used as an approximation (or Ansatz) for solving the many-electron Schr\"odinger equation, the fundamental equation for quantum chemistry and material science. This equation can be solved from first principles, requiring no external training data. In recent years, deep neural networks like the FermiNet and PauliNet have been used to significantly improve the accuracy of these first-principle calculations, but they lack an attention-like mechanism for gating interactions between electrons. Here we show that the Psiformer can be used as a drop-in replacement for these other neural networks, often dramatically improving the accuracy of the calculations. On larger molecules especially, the ground state energy can be improved by dozens of kcal/mol, a qualitative leap over previous methods. This demonstrates that self-attention networks can learn complex quantum mechanical correlations between electrons, and are a promising route to reaching unprecedented accuracy in chemical calculations on larger systems.

Off-policy evaluation (OPE) aims to accurately evaluate the performance of counterfactual policies using only offline logged data. Although many estimators have been developed, there is no single estimator that dominates the others, because the estimators' accuracy can vary greatly depending on a given OPE task such as the evaluation policy, number of actions, and noise level. Thus, the data-driven estimator selection problem is becoming increasingly important and can have a significant impact on the accuracy of OPE. However, identifying the most accurate estimator using only the logged data is quite challenging because the ground-truth estimation accuracy of estimators is generally unavailable. This paper studies this challenging problem of estimator selection for OPE for the first time. In particular, we enable an estimator selection that is adaptive to a given OPE task, by appropriately subsampling available logged data and constructing pseudo policies useful for the underlying estimator selection task. Comprehensive experiments on both synthetic and real-world company data demonstrate that the proposed procedure substantially improves the estimator selection compared to a non-adaptive heuristic.

We focus on the task of far-field 3D detection (Far3Det) of objects beyond a certain distance from an observer, e.g., $>$50m. Far3Det is particularly important for autonomous vehicles (AVs) operating at highway speeds, which require detections of far-field obstacles to ensure sufficient braking distances. However, contemporary AV benchmarks such as nuScenes underemphasize this problem because they evaluate performance only up to a certain distance (50m). One reason is that obtaining far-field 3D annotations is difficult, particularly for lidar sensors that produce very few point returns for far-away objects. Indeed, we find that almost 50% of far-field objects (beyond 50m) contain zero lidar points. Secondly, current metrics for 3D detection employ a "one-size-fits-all" philosophy, using the same tolerance thresholds for near and far objects, inconsistent with tolerances for both human vision and stereo disparities. Both factors lead to an incomplete analysis of the Far3Det task. For example, while conventional wisdom tells us that high-resolution RGB sensors should be vital for 3D detection of far-away objects, lidar-based methods still rank higher compared to RGB counterparts on the current benchmark leaderboards. As a first step towards a Far3Det benchmark, we develop a method to find well-annotated scenes from the nuScenes dataset and derive a well-annotated far-field validation set. We also propose a Far3Det evaluation protocol and explore various 3D detection methods for Far3Det. Our result convincingly justifies the long-held conventional wisdom that high-resolution RGB improves 3D detection in the far-field. We further propose a simple yet effective method that fuses detections from RGB and lidar detectors based on non-maximum suppression, which remarkably outperforms state-of-the-art 3D detectors in the far-field.

In this paper we propose a novel procedure to construct a confidence interval for multivariate time series predictions using long short term memory network. The construction uses a few novel block bootstrap techniques. We also propose an innovative block length selection procedure for each of these schemes. Two novel benchmarks help us to compare the construction of this confidence intervals by different bootstrap techniques. We illustrate the whole construction through S\&P $500$ and Dow Jones Index datasets.

Decision-focused learning (DFL) was recently proposed for stochastic optimization problems that involve unknown parameters. By integrating predictive modeling with an implicitly differentiable optimization layer, DFL has shown superior performance to the standard two-stage predict-then-optimize pipeline. However, most existing DFL methods are only applicable to convex problems or a subset of nonconvex problems that can be easily relaxed to convex ones. Further, they can be inefficient in training due to the requirement of solving and differentiating through the optimization problem in every training iteration. We propose SO-EBM, a general and efficient DFL method for stochastic optimization using energy-based models. Instead of relying on KKT conditions to induce an implicit optimization layer, SO-EBM explicitly parameterizes the original optimization problem using a differentiable optimization layer based on energy functions. To better approximate the optimization landscape, we propose a coupled training objective that uses a maximum likelihood loss to capture the optimum location and a distribution-based regularizer to capture the overall energy landscape. Finally, we propose an efficient training procedure for SO-EBM with a self-normalized importance sampler based on a Gaussian mixture proposal. We evaluate SO-EBM in three applications: power scheduling, COVID-19 resource allocation, and non-convex adversarial security game, demonstrating the effectiveness and efficiency of SO-EBM.

Siamese-network-based self-supervised learning (SSL) suffers from slow convergence and instability in training. To alleviate this, we propose a framework to exploit intermediate self-supervisions in each stage of deep nets, called the Ladder Siamese Network. Our self-supervised losses encourage the intermediate layers to be consistent with different data augmentations to single samples, which facilitates training progress and enhances the discriminative ability of the intermediate layers themselves. While some existing work has already utilized multi-level self supervisions in SSL, ours is different in that 1) we reveal its usefulness with non-contrastive Siamese frameworks in both theoretical and empirical viewpoints, and 2) ours improves image-level classification, instance-level detection, and pixel-level segmentation simultaneously. Experiments show that the proposed framework can improve BYOL baselines by 1.0% points in ImageNet linear classification, 1.2% points in COCO detection, and 3.1% points in PASCAL VOC segmentation. In comparison with the state-of-the-art methods, our Ladder-based model achieves competitive and balanced performances in all tested benchmarks without causing large degradation in one.

Transformer models have achieved state-of-the-art performance on various domains of applications and gradually becomes the foundations of the advanced large deep learning (DL) models. However, how to train these models over multiple GPUs efficiently is still challenging due to a large number of parallelism choices. Existing DL systems either rely on manual efforts to make distributed training plans or apply parallelism combinations within a very limited search space. In this approach, we propose Galvatron, a new system framework that incorporates multiple popular parallelism dimensions and automatically finds the most efficient hybrid parallelism strategy. To better explore such a rarely huge search space, we 1) involve a decision tree to make decomposition and pruning based on some reasonable intuitions, and then 2) design a dynamic programming search algorithm to generate the optimal plan. Evaluations on four representative Transformer workloads show that Galvatron could perform automatically distributed training with different GPU memory budgets. Among all evluated scenarios, Galvatron always achieves superior system throughput compared to previous work with limited parallelism.

In distributed computing, slower nodes (stragglers) usually become a bottleneck. Gradient Coding (GC), introduced by Tandon et al., is an efficient technique that uses principles of error-correcting codes to distribute gradient computation in the presence of stragglers. In this paper, we consider the distributed computation of a sequence of gradients $\{g(1),g(2),\ldots,g(J)\}$, where processing of each gradient $g(t)$ starts in round-$t$ and finishes by round-$(t+T)$. Here $T\geq 0$ denotes a delay parameter. For the GC scheme, coding is only across computing nodes and this results in a solution where $T=0$. On the other hand, having $T>0$ allows for designing schemes which exploit the temporal dimension as well. In this work, we propose two schemes that demonstrate improved performance compared to GC. Our first scheme combines GC with selective repetition of previously unfinished tasks and achieves improved straggler mitigation. In our second scheme, which constitutes our main contribution, we apply GC to a subset of the tasks and repetition for the remainder of the tasks. We then multiplex these two classes of tasks across workers and rounds in an adaptive manner, based on past straggler patterns. Using theoretical analysis, we demonstrate that our second scheme achieves significant reduction in the computational load. In our experiments, we study a practical setting of concurrently training multiple neural networks over an AWS Lambda cluster involving 256 worker nodes, where our framework naturally applies. We demonstrate that the latter scheme can yield a 16\% improvement in runtime over the baseline GC scheme, in the presence of naturally occurring, non-simulated stragglers.

The Capacitated Vehicle Routing Problem is a well-known NP-hard problem that poses the challenge of finding the optimal route of a vehicle delivering products to multiple locations. Recently, new efforts have emerged to create constructive and perturbative heuristics to tackle this problem using Deep Learning. In this paper, we join these efforts to develop the Combined Deep Constructor and Perturbator, which combines two powerful constructive and perturbative Deep Learning-based heuristics, using attention mechanisms at their core. Furthermore, we improve the Attention Model-Dynamic for the Capacitated Vehicle Routing Problem by proposing a memory-efficient algorithm that reduces its memory complexity by a factor of the number of nodes. Our method shows promising results. It demonstrates a cost improvement in common datasets when compared against other multiple Deep Learning methods. It also obtains close results to the state-of-the art heuristics from the Operations Research field. Additionally, the proposed memory efficient algorithm for the Attention Model-Dynamic model enables its use in problem instances with more than 100 nodes.

Nonlinear model predictive control (MPC) is a flexible and increasingly popular framework used to synthesize feedback control strategies that can satisfy both state and control input constraints. In this framework, an optimization problem, subjected to a set of dynamics constraints characterized by a nonlinear dynamics model, is solved at each time step. Despite its versatility, the performance of nonlinear MPC often depends on the accuracy of the dynamics model. In this work, we leverage deep learning tools, namely knowledge-based neural ordinary differential equations (KNODE) and deep ensembles, to improve the prediction accuracy of this model. In particular, we learn an ensemble of KNODE models, which we refer to as the KNODE ensemble, to obtain an accurate prediction of the true system dynamics. This learned model is then integrated into a novel learning-enhanced nonlinear MPC framework. We provide sufficient conditions that guarantees asymptotic stability of the closed-loop system and show that these conditions can be implemented in practice. We show that the KNODE ensemble provides more accurate predictions and illustrate the efficacy and closed-loop performance of the proposed nonlinear MPC framework using two case studies.

The ability to effectively reuse prior knowledge is a key requirement when building general and flexible Reinforcement Learning (RL) agents. Skill reuse is one of the most common approaches, but current methods have considerable limitations.For example, fine-tuning an existing policy frequently fails, as the policy can degrade rapidly early in training. In a similar vein, distillation of expert behavior can lead to poor results when given sub-optimal experts. We compare several common approaches for skill transfer on multiple domains including changes in task and system dynamics. We identify how existing methods can fail and introduce an alternative approach to mitigate these problems. Our approach learns to sequence existing temporally-extended skills for exploration but learns the final policy directly from the raw experience. This conceptual split enables rapid adaptation and thus efficient data collection but without constraining the final solution.It significantly outperforms many classical methods across a suite of evaluation tasks and we use a broad set of ablations to highlight the importance of differentc omponents of our method.

With increasingly more computation being shifted to the edge of the network, monitoring of critical infrastructures, such as intermediate processing nodes in autonomous driving, is further complicated due to the typically resource-constrained environments. In order to reduce the resource overhead on the network link imposed by monitoring, various methods have been discussed that either follow a filtering approach for data-emitting devices or conduct dynamic sampling based on employed prediction models. Still, existing methods are mainly requiring adaptive monitoring on edge devices, which demands device reconfigurations, utilizes additional resources, and limits the sophistication of employed models. In this paper, we propose a sampling-based and cloud-located approach that internally utilizes probabilistic forecasts and hence provides means of quantifying model uncertainties, which can be used for contextualized adaptations of sampling frequencies and consequently relieves constrained network resources. We evaluate our prototype implementation for the monitoring pipeline on a publicly available streaming dataset and demonstrate its positive impact on resource efficiency in a method comparison.

Topological data analysis (TDA) delivers invaluable and complementary information on the intrinsic properties of data inaccessible to conventional methods. However, high computational costs remain the primary roadblock hindering the successful application of TDA in real-world studies, particularly with machine learning on large complex networks. Indeed, most modern networks such as citation, blockchain, and online social networks often have hundreds of thousands of vertices, making the application of existing TDA methods infeasible. We develop two new, remarkably simple but effective algorithms to compute the exact persistence diagrams of large graphs to address this major TDA limitation. First, we prove that $(k+1)$-core of a graph $\mathcal{G}$ suffices to compute its $k^{th}$ persistence diagram, $PD_k(\mathcal{G})$. Second, we introduce a pruning algorithm for graphs to compute their persistence diagrams by removing the dominated vertices. Our experiments on large networks show that our novel approach can achieve computational gains up to 95%. The developed framework provides the first bridge between the graph theory and TDA, with applications in machine learning of large complex networks. Our implementation is available at https://github.com/cakcora/PersistentHomologyWithCoralPrunit

Over the past years, the crucial role of data has largely been shadowed by the field's focus on architectures and training procedures. We often cause changes to the data without being aware of their wider implications. In this paper we show that distorting images without accounting for the artefacts introduced leads to biased results when establishing occlusion robustness. To ensure models behave as expected in real-world scenarios, we need to rule out the impact added artefacts have on evaluation. We propose a new approach, iOcclusion, as a fairer alternative for applications where the possible occluders are unknown.

Active learning has been proposed to reduce data annotation efforts by only manually labelling representative data samples for training. Meanwhile, recent active learning applications have benefited a lot from cloud computing services with not only sufficient computational resources but also crowdsourcing frameworks that include many humans in the active learning loop. However, previous active learning methods that always require passing large-scale unlabelled data to cloud may potentially raise significant data privacy issues. To mitigate such a risk, we propose a responsible active learning method, namely Peer Study Learning (PSL), to simultaneously preserve data privacy and improve model stability. Specifically, we first introduce a human-in-the-loop teacher-student architecture to isolate unlabelled data from the task learner (teacher) on the cloud-side by maintaining an active learner (student) on the client-side. During training, the task learner instructs the light-weight active learner which then provides feedback on the active sampling criterion. To further enhance the active learner via large-scale unlabelled data, we introduce multiple peer students into the active learner which is trained by a novel learning paradigm, including the In-Class Peer Study on labelled data and the Out-of-Class Peer Study on unlabelled data. Lastly, we devise a discrepancy-based active sampling criterion, Peer Study Feedback, that exploits the variability of peer students to select the most informative data to improve model stability. Extensive experiments demonstrate the superiority of the proposed PSL over a wide range of active learning methods in both standard and sensitive protection settings.

In this paper, we consider a class of nonconvex-nonconcave minimax problems, i.e., NC-PL minimax problems, whose objective functions satisfy the Polyak-$\L$ojasiewicz (PL) condition with respect to the inner variable. We propose a zeroth-order alternating gradient descent ascent (ZO-AGDA) algorithm and a zeroth-order variance reduced alternating gradient descent ascent (ZO-VRAGDA) algorithm for solving NC-PL minimax problem under the deterministic and the stochastic setting, respectively. The number of iterations to obtain an $\epsilon$-stationary point of ZO-AGDA and ZO-VRAGDA algorithm for solving NC-PL minimax problem is upper bounded by $\mathcal{O}(\varepsilon^{-2})$ and $\mathcal{O}(\varepsilon^{-3})$, respectively. To the best of our knowledge, they are the first two zeroth-order algorithms with the iteration complexity gurantee for solving NC-PL minimax problems.

Online learning platforms provide learning materials and answers to students' academic questions by experts, peers, or systems. This paper explores question-type identification as a step in content understanding for an online learning platform. The aim of the question-type identifier is to categorize question types based on their structure and complexity, using the question text, subject, and structural features. We have defined twelve question-type classes, including Multiple-Choice Question (MCQ), essay, and others. We have compiled an internal dataset of students' questions and used a combination of weak-supervision techniques and manual annotation. We then trained a BERT-based ensemble model on this dataset and evaluated this model on a separate human-labeled test set. Our experiments yielded an F1-score of 0.94 for MCQ binary classification and promising results for 12-class multilabel classification. We deployed the model in our online learning platform as a crucial enabler for content understanding to enhance the student learning experience.

Text-to-Image models have introduced a remarkable leap in the evolution of machine learning, demonstrating high-quality synthesis of images from a given text-prompt. However, these powerful pretrained models still lack control handles that can guide spatial properties of the synthesized images. In this work, we introduce a universal approach to guide a pretrained text-to-image diffusion model, with a spatial map from another domain (e.g., sketch) during inference time. Unlike previous works, our method does not require to train a dedicated model or a specialized encoder for the task. Our key idea is to train a Latent Guidance Predictor (LGP) - a small, per-pixel, Multi-Layer Perceptron (MLP) that maps latent features of noisy images to spatial maps, where the deep features are extracted from the core Denoising Diffusion Probabilistic Model (DDPM) network. The LGP is trained only on a few thousand images and constitutes a differential guiding map predictor, over which the loss is computed and propagated back to push the intermediate images to agree with the spatial map. The per-pixel training offers flexibility and locality which allows the technique to perform well on out-of-domain sketches, including free-hand style drawings. We take a particular focus on the sketch-to-image translation task, revealing a robust and expressive way to generate images that follow the guidance of a sketch of arbitrary style or domain. Project page: sketch-guided-diffusion.github.io

Federated learning (FL) is a distributed model training paradigm that preserves clients' data privacy. It has gained tremendous attention from both academia and industry. FL hyper-parameters (e.g., the number of selected clients and the number of training passes) significantly affect the training overhead in terms of computation time, transmission time, computation load, and transmission load. However, the current practice of manually selecting FL hyper-parameters imposes a heavy burden on FL practitioners because applications have different training preferences. In this paper, we propose FedTune, an automatic FL hyper-parameter tuning algorithm tailored to applications' diverse system requirements in FL training. FedTune iteratively adjusts FL hyper-parameters during FL training and can be easily integrated into existing FL systems. Through extensive evaluations of FedTune for diverse applications and FL aggregation algorithms, we show that FedTune is lightweight and effective, achieving 8.48%-26.75% system overhead reduction compared to using fixed FL hyper-parameters. This paper assists FL practitioners in designing high-performance FL training solutions. The source code of FedTune is available at https://github.com/DataSysTech/FedTune.

A parametric adaptive greedy Latent Space Dynamics Identification (gLaSDI) framework is developed for accurate, efficient, and certified data-driven physics-informed greedy auto-encoder simulators of high-dimensional nonlinear dynamical systems. In the proposed framework, an auto-encoder and dynamics identification models are trained interactively to discover intrinsic and simple latent-space dynamics. To effectively explore the parameter space for optimal model performance, an adaptive greedy sampling algorithm integrated with a physics-informed error indicator is introduced to search for optimal training samples on the fly, outperforming the conventional predefined uniform sampling. Further, an efficient k-nearest neighbor convex interpolation scheme is employed to exploit local latent-space dynamics for improved predictability. Numerical results demonstrate that the proposed method achieves 121 to 2,658x speed-up with 1 to 5% relative errors for radial advection and 2D Burgers dynamical problems.

The solution of linear inverse problems arising, for example, in signal and image processing is a challenging problem, since the ill-conditioning amplifies the noise on the data. Recently introduced deep-learning based algorithms overwhelm the more traditional model-based approaches but they typically suffer from instability with respect to data perturbation. In this paper, we theoretically analyse the trade-off between neural networks stability and accuracy in the solution of linear inverse problems. Moreover, we propose different supervised and unsupervised solutions, to increase network stability by maintaining good accuracy, by inheriting, in the network training, regularization from a model-based iterative scheme. Extensive numerical experiments on image deblurring confirm the theoretical results and the effectiveness of the proposed networks in solving inverse problems with stability with respect to noise.

We explore the benefits that multitask learning offer to speech processing as we train models on dual objectives with automatic speech recognition and intent classification or sentiment classification. Our models, although being of modest size, show improvements over models trained end-to-end on intent classification. We compare different settings to find the optimal disposition of each task module compared to one another. Finally, we study the performance of the models in low-resource scenario by training the models with as few as one example per class. We show that multitask learning in these scenarios compete with a baseline model trained on text features and performs considerably better than a pipeline model. On sentiment classification, we match the performance of an end-to-end model with ten times as many parameters. We consider 4 tasks and 4 datasets in Dutch and English.

Wind turbine wake modelling is of crucial importance to accurate resource assessment, to layout optimisation, and to the operational control of wind farms. This work proposes a surrogate model for the representation of wind turbine wakes based on a state-of-the-art graph representation learning method termed a graph neural network. The proposed end-to-end deep learning model operates directly on unstructured meshes and has been validated against high-fidelity data, demonstrating its ability to rapidly make accurate 3D flow field predictions for various inlet conditions and turbine yaw angles. The specific graph neural network model employed here is shown to generalise well to unseen data and is less sensitive to over-smoothing compared to common graph neural networks. A case study based upon a real world wind farm further demonstrates the capability of the proposed approach to predict farm scale power generation. Moreover, the proposed graph neural network framework is flexible and highly generic and as formulated here can be applied to any steady state computational fluid dynamics simulations on unstructured meshes.

Neural radiance field (NeRF), in particular its extension by instant neural graphics primitives, is a novel rendering method for view synthesis that uses real-world images to build photo-realistic immersive virtual scenes. Despite its potential, research on the combination of NeRF and virtual reality (VR) remains sparse. Currently, there is no integration into typical VR systems available, and the performance and suitability of NeRF implementations for VR have not been evaluated, for instance, for different scene complexities or screen resolutions. In this paper, we present and evaluate a NeRF-based framework that is capable of rendering scenes in immersive VR allowing users to freely move their heads to explore complex real-world scenes. We evaluate our framework by benchmarking three different NeRF scenes concerning their rendering performance at different scene complexities and resolutions. Utilizing super-resolution, our approach can yield a frame rate of 30 frames per second with a resolution of 1280x720 pixels per eye. We discuss potential applications of our framework and provide an open source implementation online.

In this paper, we examine the concept of the predict and optimise problem with specific reference to the third Technical Challenge of the IEEE Computational Intelligence Society. In this competition, entrants were asked to forecast building energy use and solar generation at six buildings and six solar installations, and then use their forecast to optimize energy cost while scheduling classes and batteries over a month. We examine the possible effect of underforecasting and overforecasting and asymmetric errors on the optimisation cost. We explore the different nature of loss functions for the prediction and optimisation phase and propose to adjust the final forecasts for a better optimisation cost. We report that while there is a positive correlation between these two, more appropriate loss functions can be used to optimise the costs associated with final decisions.

Nowadays, more and more machine learning applications, such as medical diagnosis, online fraud detection, email spam filtering, etc., services are provided by cloud computing. The cloud service provider collects the data from the various owners to train or classify the machine learning system in the cloud environment. However, multiple data owners may not entirely rely on the cloud platform that a third party engages. Therefore, data security and privacy problems are among the critical hindrances to using machine learning tools, particularly with multiple data owners. In addition, unauthorized entities can detect the statistical input data and infer the machine learning model parameters. Therefore, a privacy-preserving model is proposed, which protects the privacy of the data without compromising machine learning efficiency. In order to protect the data of data owners, the epsilon-differential privacy is used, and fog nodes are used to address the problem of the lower bandwidth and latency in this proposed scheme. The noise is produced by the epsilon-differential mechanism, which is then added to the data. Moreover, the noise is injected at the data owner site to protect the owners data. Fog nodes collect the noise-added data from the data owners, then shift it to the cloud platform for storage, computation, and performing the classification tasks purposes.

The analysis of FFPE tissue sections stained with haematoxylin and eosin (H&E) or immunohistochemistry (IHC) is an essential part of the pathologic assessment of surgically resected breast cancer specimens. IHC staining has been broadly adopted into diagnostic guidelines and routine workflows to manually assess status and scoring of several established biomarkers, including ER, PGR, HER2 and KI67. However, this is a task that can also be facilitated by computational pathology image analysis methods. The research in computational pathology has recently made numerous substantial advances, often based on publicly available whole slide image (WSI) data sets. However, the field is still considerably limited by the sparsity of public data sets. In particular, there are no large, high quality publicly available data sets with WSIs of matching IHC and H&E-stained tissue sections. Here, we publish the currently largest publicly available data set of WSIs of tissue sections from surgical resection specimens from female primary breast cancer patients with matched WSIs of corresponding H&E and IHC-stained tissue, consisting of 4,212 WSIs from 1,153 patients. The primary purpose of the data set was to facilitate the ACROBAT WSI registration challenge, aiming at accurately aligning H&E and IHC images. For research in the area of image registration, automatic quantitative feedback on registration algorithm performance remains available through the ACROBAT challenge website, based on more than 37,000 manually annotated landmark pairs from 13 annotators. Beyond registration, this data set has the potential to enable many different avenues of computational pathology research, including stain-guided learning, virtual staining, unsupervised pre-training, artefact detection and stain-independent models.

Partial Label (PL) learning refers to the task of learning from the partially labeled data, where each training instance is ambiguously equipped with a set of candidate labels but only one is valid. Advances in the recent deep PL learning literature have shown that the deep learning paradigms, e.g., self-training, contrastive learning, or class activate values, can achieve promising performance. Inspired by the impressive success of deep Semi-Supervised (SS) learning, we transform the PL learning problem into the SS learning problem, and propose a novel PL learning method, namely Partial Label learning with Semi-supervised Perspective (PLSP). Specifically, we first form the pseudo-labeled dataset by selecting a small number of reliable pseudo-labeled instances with high-confidence prediction scores and treating the remaining instances as pseudo-unlabeled ones. Then we design a SS learning objective, consisting of a supervised loss for pseudo-labeled instances and a semantic consistency regularization for pseudo-unlabeled instances. We further introduce a complementary regularization for those non-candidate labels to constrain the model predictions on them to be as small as possible. Empirical results demonstrate that PLSP significantly outperforms the existing PL baseline methods, especially on high ambiguity levels. Code available: https://github.com/changchunli/PLSP.

There is no such thing as a perfect dataset. In some datasets, deep neural networks discover underlying heuristics that allow them to take shortcuts in the learning process, resulting in poor generalization capability. Instead of using standard cross-entropy, we explore whether a modulated version of cross-entropy called focal loss can constrain the model so as not to use heuristics and improve generalization performance. Our experiments in natural language inference show that focal loss has a regularizing impact on the learning process, increasing accuracy on out-of-distribution data, but slightly decreasing performance on in-distribution data. Despite the improved out-of-distribution performance, we demonstrate the shortcomings of focal loss and its inferiority in comparison to the performance of methods such as unbiased focal loss and self-debiasing ensembles.

We propose a new gradient descent algorithm with added stochastic terms for finding the global optimizers of nonconvex optimization problems, referred to as ``AdaVar'' here. A key component in the algorithm is the adaptive tuning of the randomness based on the value of the objective function. In the language of simulated annealing, the temperature is state-dependent. With this, we prove the global convergence of the algorithm with an algebraic rate both in probability and in the parameter space. This is an improvement over the classical rate from using a simpler control of the noise term. The convergence proof is based on the actual discrete setup of the algorithm. We also present several numerical examples to demonstrate the efficiency and robustness of the algorithm for reasonably complex objective functions.

Dynamical systems with interacting agents are universal in nature, commonly modeled by a graph of relationships between their constituents. Recently, various works have been presented to tackle the problem of inferring those relationships from the system trajectories via deep neural networks, but most of the studies assume binary or discrete types of interactions for simplicity. In the real world, the interaction kernels often involve continuous interaction strengths, which cannot be accurately approximated by discrete relations. In this work, we propose the relational attentive inference network (RAIN) to infer continuously weighted interaction graphs without any ground-truth interaction strengths. Our model employs a novel pairwise attention (PA) mechanism to refine the trajectory representations and a graph transformer to extract heterogeneous interaction weights for each pair of agents. We show that our RAIN model with the PA mechanism accurately infers continuous interaction strengths for simulated physical systems in an unsupervised manner. Further, RAIN with PA successfully predicts trajectories from motion capture data with an interpretable interaction graph, demonstrating the virtue of modeling unknown dynamics with continuous weights.

Spontaneous speech has many affective and pragmatic functions that are interesting and challenging to model in TTS (text-to-speech). However, the presence of reduced articulation, fillers, repetitions, and other disfluencies mean that text and acoustics are less well aligned than in read speech. This is problematic for attention-based TTS. We propose a TTS architecture that is particularly suited for rapidly learning to speak from irregular and small datasets while also reproducing the diversity of expressive phenomena present in spontaneous speech. Specifically, we modify an existing neural HMM-based TTS system, which is capable of stable, monotonic alignments for spontaneous speech, and add utterance-level prosody control, so that the system can represent the wide range of natural variability in a spontaneous speech corpus. We objectively evaluate control accuracy and perform a subjective listening test to compare to a system without prosody control. To exemplify the power of combining mid-level prosody control and ecologically valid data for reproducing intricate spontaneous speech phenomena, we evaluate the system's capability of synthesizing two types of creaky phonation. Audio samples are available at https://hfkml.github.io/pc_nhmm_tts/

We introduce Group SELFIES, a molecular string representation that leverages group tokens to represent functional groups or entire substructures while maintaining chemical robustness guarantees. Molecular string representations, such as SMILES and SELFIES, serve as the basis for molecular generation and optimization in chemical language models, deep generative models, and evolutionary methods. While SMILES and SELFIES leverage atomic representations, Group SELFIES builds on top of the chemical robustness guarantees of SELFIES by enabling group tokens, thereby creating additional flexibility to the representation. Moreover, the group tokens in Group SELFIES can take advantage of inductive biases of molecular fragments that capture meaningful chemical motifs. The advantages of capturing chemical motifs and flexibility are demonstrated in our experiments, which show that Group SELFIES improves distribution learning of common molecular datasets. Further experiments also show that random sampling of Group SELFIES strings improves the quality of generated molecules compared to regular SELFIES strings. Our open-source implementation of Group SELFIES is available online, which we hope will aid future research in molecular generation and optimization.

The 1$^{\text{st}}$ Workshop on Maritime Computer Vision (MaCVi) 2023 focused on maritime computer vision for Unmanned Aerial Vehicles (UAV) and Unmanned Surface Vehicle (USV), and organized several subchallenges in this domain: (i) UAV-based Maritime Object Detection, (ii) UAV-based Maritime Object Tracking, (iii) USV-based Maritime Obstacle Segmentation and (iv) USV-based Maritime Obstacle Detection. The subchallenges were based on the SeaDronesSee and MODS benchmarks. %This report summarizes the main findings of the individual subchallenges, which are (1) UAV-based Maritime Object Detection, (2) UAV-based Maritime Object Tracking, (3) USV-based Maritime Obstacle Segmentation and (4) USV-based Maritime Obstacle Detection. This report summarizes the main findings of the individual subchallenges and introduces %Furthermore, we introduce a new benchmark, called SeaDronesSee Object Detection v2, which extends the previous benchmark by including more classes and footage. We provide statistical and qualitative analyses, and assess trends in the best-performing methodologies of over 130 submissions. The methods are summarized in the appendix. %The tech report for most of the top performing methods is attached. The datasets, evaluation code and the %competition's final standing leaderboard are publicly available at https://seadronessee.cs.uni-tuebingen.de/macvi.

Deep neural networks (DNNs) for supervised learning can be viewed as a pipeline of the feature extractor (i.e., last hidden layer) and a linear classifier (i.e., output layer) that are trained jointly with stochastic gradient descent (SGD) on the loss function (e.g., cross-entropy). In each epoch, the true gradient of the loss function is estimated using a mini-batch sampled from the training set and model parameters are then updated with the mini-batch gradients. Although the latter provides an unbiased estimation of the former, they are subject to substantial variances derived from the size and number of sampled mini-batches, leading to noisy and jumpy updates. To stabilize such undesirable variance in estimating the true gradients, we propose In-Training Representation Alignment (ITRA) that explicitly aligns feature distributions of two different mini-batches with a matching loss in the SGD training process. We also provide a rigorous analysis of the desirable effects of the matching loss on feature representation learning: (1) extracting compact feature representation; (2) reducing over-adaption on mini-batches via an adaptive weighting mechanism; and (3) accommodating to multi-modalities. Finally, we conduct large-scale experiments on both image and text classifications to demonstrate its superior performance to the strong baselines.

A remarkable recent paper by Rubinfeld and Vasilyan (2022) initiated the study of \emph{testable learning}, where the goal is to replace hard-to-verify distributional assumptions (such as Gaussianity) with efficiently testable ones and to require that the learner succeed whenever the unknown distribution passes the corresponding test. In this model, they gave an efficient algorithm for learning halfspaces under testable assumptions that are provably satisfied by Gaussians. In this paper we give a powerful new approach for developing algorithms for testable learning using tools from moment matching and metric distances in probability. We obtain efficient testable learners for any concept class that admits low-degree \emph{sandwiching polynomials}, capturing most important examples for which we have ordinary agnostic learners. We recover the results of Rubinfeld and Vasilyan as a corollary of our techniques while achieving improved, near-optimal sample complexity bounds for a broad range of concept classes and distributions. Surprisingly, we show that the information-theoretic sample complexity of testable learning is tightly characterized by the Rademacher complexity of the concept class, one of the most well-studied measures in statistical learning theory. In particular, uniform convergence is necessary and sufficient for testable learning. This leads to a fundamental separation from (ordinary) distribution-specific agnostic learning, where uniform convergence is sufficient but not necessary.

Learned representations of scientific documents can serve as valuable input features for downstream tasks, without the need for further fine-tuning. However, existing benchmarks for evaluating these representations fail to capture the diversity of relevant tasks. In response, we introduce SciRepEval, the first comprehensive benchmark for training and evaluating scientific document representations. It includes 25 challenging and realistic tasks, 11 of which are new, across four formats: classification, regression, ranking and search. We then use the benchmark to study and improve the generalization ability of scientific document representation models. We show how state-of-the-art models struggle to generalize across task formats, and that simple multi-task training fails to improve them. However, a new approach that learns multiple embeddings per document, each tailored to a different format, can improve performance. We experiment with task-format-specific control codes and adapters in a multi-task setting and find that they outperform the existing single-embedding state-of-the-art by up to 1.5 points absolute.

The goal in offline data-driven decision-making is synthesize decisions that optimize a black-box utility function, using a previously-collected static dataset, with no active interaction. These problems appear in many forms: offline reinforcement learning (RL), where we must produce actions that optimize the long-term reward, bandits from logged data, where the goal is to determine the correct arm, and offline model-based optimization (MBO) problems, where we must find the optimal design provided access to only a static dataset. A key challenge in all these settings is distributional shift: when we optimize with respect to the input into a model trained from offline data, it is easy to produce an out-of-distribution (OOD) input that appears erroneously good. In contrast to prior approaches that utilize pessimism or conservatism to tackle this problem, in this paper, we formulate offline data-driven decision-making as domain adaptation, where the goal is to make accurate predictions for the value of optimized decisions ("target domain"), when training only on the dataset ("source domain"). This perspective leads to invariant objective models (IOM), our approach for addressing distributional shift by enforcing invariance between the learned representations of the training dataset and optimized decisions. In IOM, if the optimized decisions are too different from the training dataset, the representation will be forced to lose much of the information that distinguishes good designs from bad ones, making all choices seem mediocre. Critically, when the optimizer is aware of this representational tradeoff, it should choose not to stray too far from the training distribution, leading to a natural trade-off between distributional shift and learning performance.

Vision-Language (VL) models with the Two-Tower architecture have dominated visual-language representation learning in recent years. Current VL models either use lightweight uni-modal encoders and learn to extract, align and fuse both modalities simultaneously in a deep cross-modal encoder, or feed the last-layer uni-modal representations from the deep pre-trained uni-modal encoders into the top cross-modal encoder. Both approaches potentially restrict vision-language representation learning and limit model performance. In this paper, we propose Bridge-Tower, which introduces multiple bridge layers that build a connection between the top layers of uni-modal encoders and each layer of the cross-modal encoder. This enables effective bottom-up cross-modal alignment and fusion between visual and textual representations of different semantic levels of pre-trained uni-modal encoders in the cross-modal encoder. Pre-trained with only 4M images, Bridge-Tower achieves state-of-the-art performance on various downstream vision-language tasks. In particular, on the VQAv2 test-std set, Bridge-Tower achieves an accuracy of 78.73%, outperforming the previous state-of-the-art model METER by 1.09% with the same pre-training data and almost negligible additional parameters and computational costs. Notably, when further scaling the model, Bridge-Tower achieves an accuracy of 81.15%, surpassing models that are pre-trained on orders-of-magnitude larger datasets. Code and checkpoints are available at \url{https://github.com/microsoft/BridgeTower}.

Unsupervised skill learning aims to learn a rich repertoire of behaviors without external supervision, providing artificial agents with the ability to control and influence the environment. However, without appropriate knowledge and exploration, skills may provide control only over a restricted area of the environment, limiting their applicability. Furthermore, it is unclear how to leverage the learned skill behaviors for adapting to downstream tasks in a data-efficient manner. We present Choreographer, a model-based agent that exploits its world model to learn and adapt skills in imagination. Our method decouples the exploration and skill learning processes, being able to discover skills in the latent state space of the model. During adaptation, the agent uses a meta-controller to evaluate and adapt the learned skills efficiently by deploying them in parallel in imagination. Choreographer is able to learn skills both from offline data, and by collecting data simultaneously with an exploration policy. The skills can be used to effectively adapt to downstream tasks, as we show in the URL benchmark, where we outperform previous approaches from both pixels and states inputs. The learned skills also explore the environment thoroughly, finding sparse rewards more frequently, as shown in goal-reaching tasks from the DMC Suite and Meta-World. Project website: https://skillchoreographer.github.io/

K-FAC is a successful tractable implementation of Natural Gradient for Deep Learning, which nevertheless suffers from the requirement to compute the inverse of the Kronecker factors (through an eigen-decomposition). This can be very time-consuming (or even prohibitive) when these factors are large. In this paper, we theoretically show that, owing to the exponential-average construction paradigm of the Kronecker factors that is typically used, their eigen-spectrum must decay. We show numerically that in practice this decay is very rapid, leading to the idea that we could save substantial computation by only focusing on the first few eigen-modes when inverting the Kronecker-factors. Importantly, the spectrum decay happens over a constant number of modes irrespectively of the layer width. This allows us to reduce the time complexity of K-FAC from cubic to quadratic in layer width, partially closing the gap w.r.t. SENG (another practical Natural Gradient implementation for Deep learning which scales linearly in width). Randomized Numerical Linear Algebra provides us with the necessary tools to do so. Numerical results show we obtain $\approx2.5\times$ reduction in per-epoch time and $\approx3.3\times$ reduction in time to target accuracy. We compare our proposed K-FAC sped-up versions SENG, and observe that for CIFAR10 classification with VGG16_bn we perform on par with it.

The classic algorithm AdaBoost allows to convert a weak learner, that is an algorithm that produces a hypothesis which is slightly better than chance, into a strong learner, achieving arbitrarily high accuracy when given enough training data. We present a new algorithm that constructs a strong learner from a weak learner but uses less training data than AdaBoost and all other weak to strong learners to achieve the same generalization bounds. A sample complexity lower bound shows that our new algorithm uses the minimum possible amount of training data and is thus optimal. Hence, this work settles the sample complexity of the classic problem of constructing a strong learner from a weak learner.

Malicious attackers can generate targeted adversarial examples by imposing tiny noises, forcing neural networks to produce specific incorrect outputs. With cross-model transferability, network models remain vulnerable even in black-box settings. Recent studies have shown the effectiveness of ensemble-based methods in generating transferable adversarial examples. To further enhance transferability, model augmentation methods aim to produce more networks participating in the ensemble. However, existing model augmentation methods are only proven effective in untargeted attacks. In this work, we propose Diversified Weight Pruning (DWP), a novel model augmentation technique for generating transferable targeted attacks. DWP leverages the weight pruning method commonly used in model compression. Compared with prior work, DWP protects necessary connections and ensures the diversity of the pruned models simultaneously, which we show are crucial for targeted transferability. Experiments on the ImageNet-compatible dataset under various and more challenging scenarios confirm the effectiveness: transferring to adversarially trained models, Non-CNN architectures, and Google Cloud Vision. The results show that our proposed DWP improves the targeted attack success rates with up to $10.1$%, $6.6$%, and $7.0$% on the combination of state-of-the-art methods, respectively. The source code will be made available after acceptance.

We introduce Probabilistic Rank and Reward (PRR), a scalable probabilistic model for personalized slate recommendation. Our approach allows state-of-the-art estimation of the user interests in the ubiquitous scenario where the user interacts with at most one item from a slate of K items. We show that the probability of a slate being successful can be learned efficiently by combining the reward, whether the user successfully interacted with the slate, and the rank, the item that was selected within the slate. PRR outperforms competing approaches that use one signal or the other and is far more scalable to large action spaces. Moreover, PRR allows fast delivery of recommendations powered by maximum inner product search (MIPS), making it suitable in low latency domains such as computational advertising.

Gradient estimation -- approximating the gradient of an expectation with respect to the parameters of a distribution -- is central to the solution of many machine learning problems. However, when the distribution is discrete, most common gradient estimators suffer from excessive variance. To improve the quality of gradient estimation, we introduce a variance reduction technique based on Stein operators for discrete distributions. We then use this technique to build flexible control variates for the REINFORCE leave-one-out estimator. Our control variates can be adapted online to minimize variance and do not require extra evaluations of the target function. In benchmark generative modeling tasks such as training binary variational autoencoders, our gradient estimator achieves substantially lower variance than state-of-the-art estimators with the same number of function evaluations.

Due to data privacy constraints, data sharing among multiple centers is restricted. Continual learning, as one approach to peer-to-peer federated learning, can promote multicenter collaboration on deep learning algorithm development by sharing intermediate models instead of training data. This work aims to investigate the feasibility of continual learning for multicenter collaboration on an exemplary application of brain metastasis identification using DeepMedic. 920 T1 MRI contrast enhanced volumes are split to simulate multicenter collaboration scenarios. A continual learning algorithm, synaptic intelligence (SI), is applied to preserve important model weights for training one center after another. In a bilateral collaboration scenario, continual learning with SI achieves a sensitivity of 0.917, and naive continual learning without SI achieves a sensitivity of 0.906, while two models trained on internal data solely without continual learning achieve sensitivity of 0.853 and 0.831 only. In a seven-center multilateral collaboration scenario, the models trained on internal datasets (100 volumes each center) without continual learning obtain a mean sensitivity value of 0.699. With single-visit continual learning (i.e., the shared model visits each center only once during training), the sensitivity is improved to 0.788 and 0.849 without SI and with SI, respectively. With iterative continual learning (i.e., the shared model revisits each center multiple times during training), the sensitivity is further improved to 0.914, which is identical to the sensitivity using mixed data for training. Our experiments demonstrate that continual learning can improve brain metastasis identification performance for centers with limited data. This study demonstrates the feasibility of applying continual learning for peer-to-peer federated learning in multicenter collaboration.

Object pose estimation is an important topic in 3D vision. Though most current state-of-the-art method that trains on real-world pose annotations achieve good results, the cost of such real-world training data is too high. In this paper, we propose a novel method for sim-to-real pose estimation, which is effective on both instance-level and category-level settings. The proposed method is based on the point-pair voting scheme from CPPF to vote for object centers, orientations, and scales. Unlike naive point pairs, to enrich the context provided by each voting unit, we introduce N-point tuples to fuse features from more than two points. Besides, a novel vote selection module is leveraged in order to discard those `bad' votes. Experiments show that our proposed method greatly advances the performance on both instance-level and category-level scenarios. Our method further narrows the gap between sim-to-real and real-training methods by generating synthetic training data online efficiently, while all previous sim-to-real methods need to generate data offline, because of their complex background synthesizing or photo-realistic rendering. Code repository: https://github.com/qq456cvb/BeyondPPF.

Estimating the uncertainty in deep neural network predictions is crucial for many real-world applications. A common approach to model uncertainty is to choose a parametric distribution and fit the data to it using maximum likelihood estimation. The chosen parametric form can be a poor fit to the data-generating distribution, resulting in unreliable uncertainty estimates. In this work, we propose SampleNet, a flexible and scalable architecture for modeling uncertainty that avoids specifying a parametric form on the output distribution. SampleNets do so by defining an empirical distribution using samples that are learned with the Energy Score and regularized with the Sinkhorn Divergence. SampleNets are shown to be able to well-fit a wide range of distributions and to outperform baselines on large-scale real-world regression tasks.

Numerous approaches have been proposed to discover causal dependencies in machine learning and data mining; among them, the state-of-the-art VAR-LiNGAM (short for Vector Auto-Regressive Linear Non-Gaussian Acyclic Model) is a desirable approach to reveal both the instantaneous and time-lagged relationships. However, all the obtained VAR matrices need to be analyzed to infer the final causal graph, leading to a rise in the number of parameters. To address this issue, we propose the CGP-LiNGAM (short for Causal Graph Process-LiNGAM), which has significantly fewer model parameters and deals with only one causal graph for interpreting the causal relations by exploiting Graph Signal Processing (GSP).

Molecular property calculations are the bedrock of chemical physics. High-fidelity \textit{ab initio} modeling techniques for computing the molecular properties can be prohibitively expensive, and motivate the development of machine-learning models that make the same predictions more efficiently. Training graph neural networks over large molecular databases introduces unique computational challenges such as the need to process millions of small graphs with variable size and support communication patterns that are distinct from learning over large graphs such as social networks. This paper demonstrates a novel hardware-software co-design approach to scale up the training of graph neural networks for molecular property prediction. We introduce an algorithm to coalesce the batches of molecular graphs into fixed size packs to eliminate redundant computation and memory associated with alternative padding techniques and improve throughput via minimizing communication. We demonstrate the effectiveness of our co-design approach by providing an implementation of a well-established molecular property prediction model on the Graphcore Intelligence Processing Units (IPU). We evaluate the training performance on multiple molecular graph databases with varying degrees of graph counts, sizes and sparsity. We demonstrate that such a co-design approach can reduce the training time of such molecular property prediction models from days to less than two hours, opening new possibilities for AI-driven scientific discovery.

While there has been progress in developing non-vacuous generalization bounds for deep neural networks, these bounds tend to be uninformative about why deep learning works. In this paper, we develop a compression approach based on quantizing neural network parameters in a linear subspace, profoundly improving on previous results to provide state-of-the-art generalization bounds on a variety of tasks, including transfer learning. We use these tight bounds to better understand the role of model size, equivariance, and the implicit biases of optimization, for generalization in deep learning. Notably, we find large models can be compressed to a much greater extent than previously known, encapsulating Occam's razor. We also argue for data-independent bounds in explaining generalization.

This paper presents a general one-shot object localization algorithm called OneLoc. Current one-shot object localization or detection methods either rely on a slow exhaustive feature matching process or lack the ability to generalize to novel objects. In contrast, our proposed OneLoc algorithm efficiently finds the object center and bounding box size by a special voting scheme. To keep our method scale-invariant, only unit center offset directions and relative sizes are estimated. A novel dense equalized voting module is proposed to better locate small texture-less objects. Experiments show that the proposed method achieves state-of-the-art overall performance on two datasets: OnePose dataset and LINEMOD dataset. In addition, our method can also achieve one-shot multi-instance detection and non-rigid object localization. Code repository: https://github.com/qq456cvb/OneLoc.

It is well-known that any matrix $A$ has an LU decomposition. Less well-known is the fact that it has a 'Toeplitz decomposition' $A = T_1 T_2 \cdots T_r$ where $T_i$'s are Toeplitz matrices. We will prove that any continuous function $f : \mathbb{R}^n \to \mathbb{R}^m$ has an approximation to arbitrary accuracy by a neural network that takes the form $L_1 \sigma_1 U_1 \sigma_2 L_2 \sigma_3 U_2 \cdots L_r \sigma_{2r-1} U_r$, i.e., where the weight matrices alternate between lower and upper triangular matrices, $\sigma_i(x) := \sigma(x - b_i)$ for some bias vector $b_i$, and the activation $\sigma$ may be chosen to be essentially any uniformly continuous nonpolynomial function. The same result also holds with Toeplitz matrices, i.e., $f \approx T_1 \sigma_1 T_2 \sigma_2 \cdots \sigma_{r-1} T_r$ to arbitrary accuracy, and likewise for Hankel matrices. A consequence of our Toeplitz result is a fixed-width universal approximation theorem for convolutional neural networks, which so far have only arbitrary width versions. Since our results apply in particular to the case when $f$ is a general neural network, we may regard them as LU and Toeplitz decompositions of a neural network. The practical implication of our results is that one may vastly reduce the number of weight parameters in a neural network without sacrificing its power of universal approximation. We will present several experiments on real data sets to show that imposing such structures on the weight matrices sharply reduces the number of training parameters with almost no noticeable effect on test accuracy.

Identifying abnormal patterns in electroencephalography (EEG) remains the cornerstone of diagnosing several neurological diseases. The current clinical EEG review process relies heavily on expert visual review, which is unscalable and error-prone. In an effort to augment the expert review process, there is a significant interest in mining population-level EEG patterns using unsupervised approaches. Current approaches rely either on two-dimensional decompositions (e.g., principal and independent component analyses) or deep representation learning (e.g., auto-encoders, self-supervision). However, most approaches do not leverage the natural multi-dimensional structure of EEGs and lack interpretability. In this study, we propose a tensor decomposition approach using the canonical polyadic decomposition to discover a parsimonious set of population-level EEG patterns, retaining the natural multi-dimensional structure of EEGs (time x space x frequency). We then validate their clinical value using a cohort of patients including varying stages of cognitive impairment. Our results show that the discovered patterns reflect physiologically meaningful features and accurately classify the stages of cognitive impairment (healthy vs mild cognitive impairment vs Alzheimer's dementia) with substantially fewer features compared to classical and deep learning-based baselines. We conclude that the decomposition of population-level EEG tensors recovers expert-interpretable EEG patterns that can aid in the study of smaller specialized clinical cohorts.

In anomaly detection, a prominent task is to induce a model to identify anomalies learned solely based on normal data. Generally, one is interested in finding an anomaly detector that correctly identifies anomalies, i.e., data points that do not belong to the normal class, without raising too many false alarms. Which anomaly detector is best suited depends on the dataset at hand and thus needs to be tailored. The quality of an anomaly detector may be assessed via confusion-based metrics such as the Matthews correlation coefficient (MCC). However, since during training only normal data is available in a semi-supervised setting, such metrics are not accessible. To facilitate automated machine learning for anomaly detectors, we propose to employ meta-learning to predict MCC scores based on metrics that can be computed with normal data only. First promising results can be obtained considering the hypervolume and the false positive rate as meta-features.

The interpretability of ML models is important, but it is not clear what it amounts to. So far, most philosophers have discussed the lack of interpretability of black-box models such as neural networks, and methods such as explainable AI that aim to make these models more transparent. The goal of this paper is to clarify the nature of interpretability by focussing on the other end of the 'interpretability spectrum'. The reasons why some models, linear models and decision trees, are highly interpretable will be examined, and also how more general models, MARS and GAM, retain some degree of interpretability. I find that while there is heterogeneity in how we gain interpretability, what interpretability is in particular cases can be explicated in a clear manner.

Optimizing user engagement is a key goal for modern recommendation systems, but blindly pushing users towards increased consumption risks burn-out, churn, or even addictive habits. To promote digital well-being, most platforms now offer a service that periodically prompts users to take a break. These, however, must be set up manually, and so may be suboptimal for both users and the system. In this paper, we propose a framework for optimizing long-term engagement by learning individualized breaking policies. Using Lotka-Volterra dynamics, we model users as acting based on two balancing latent states: drive, and interest -- which must be conserved. We then give an efficient learning algorithm, provide theoretical guarantees, and empirically evaluate its performance on semi-synthetic data.

Using massive datasets to train large-scale models has emerged as a dominant approach for broad generalization in natural language and vision applications. In reinforcement learning, however, a key challenge is that available data of sequential decision making is often not annotated with actions - for example, videos of game-play are much more available than sequences of frames paired with their logged game controls. We propose to circumvent this challenge by combining large but sparsely-annotated datasets from a \emph{target} environment of interest with fully-annotated datasets from various other \emph{source} environments. Our method, Action Limited PreTraining (ALPT), leverages the generalization capabilities of inverse dynamics modelling (IDM) to label missing action data in the target environment. We show that utilizing even one additional environment dataset of labelled data during IDM pretraining gives rise to substantial improvements in generating action labels for unannotated sequences. We evaluate our method on benchmark game-playing environments and show that we can significantly improve game performance and generalization capability compared to other approaches, using annotated datasets equivalent to only $12$ minutes of gameplay. Highlighting the power of IDM, we show that these benefits remain even when target and source environments share no common actions.

Forecasting and optimisation are two major fields of operations research that are widely used in practice. These methods have contributed to each other growth in several ways. However, the nature of the relationship between these two fields and integrating them have not been explored or understood enough. We advocate the integration of these two fields and explore several problems that require both forecasting and optimisation to deal with the uncertainties. We further investigate some of the methodologies that lie at the intersection of machine learning with prediction and optimisation to address real-world problems. Finally, we provide several research directions for those interested to work in this domain.  ( 2 min )

In the research area of anomaly detection, novel and promising methods are frequently developed. However, most existing studies, especially those leveraging deep neural networks, exclusively focus on the detection task only and ignore the interpretability of the underlying models as well as their detection results. However, anomaly interpretation, which aims to provide explanation of why specific data instances are identified as anomalies, is an equally (if not more) important task in many real-world applications. In this work, we pursue highly interpretable anomaly detection via invariant rule mining. Specifically, we leverage decision tree learning and association rule mining to automatically generate invariant rules that are consistently satisfied by the underlying data generation process. The generated invariant rules can provide explicit explanation of anomaly detection results and thus are extremely useful for subsequent decision-making. Furthermore, our empirical evaluation shows that the proposed method can also achieve comparable performance in terms of AUC and partial AUC with popular anomaly detection models in various benchmark datasets.  ( 2 min )

GitHub is a popular data repository for code examples. It is being continuously used to train several AI-based tools to automatically generate code. However, the effectiveness of such tools in correctly demonstrating the usage of cryptographic APIs has not been thoroughly assessed. In this paper, we investigate the extent and severity of misuses, specifically caused by incorrect cryptographic API call sequences in GitHub. We also analyze the suitability of GitHub data to train a learning-based model to generate correct cryptographic API call sequences. For this, we manually extracted and analyzed the call sequences from GitHub. Using this data, we augmented an existing learning-based model called DeepAPI to create two security-specific models that generate cryptographic API call sequences for a given natural language (NL) description. Our results indicate that it is imperative to not neglect the misuses in API call sequences while using data sources like GitHub, to train models that generate code.  ( 2 min )

Many data have an underlying dependence on spatial location; it may be weather on the Earth, a simulation on a mesh, or a registered image. Yet this feature is rarely taken advantage of, and violates common assumptions made by many neural network layers, such as translation equivariance. Further, many works that do incorporate locality fail to capture fine-grained structure. To address this, we introduce the Spatial Mixture-of-Experts (SMoE) layer, a sparsely-gated layer that learns spatial structure in the input domain and routes experts at a fine-grained level to utilize it. We also develop new techniques to train SMoEs, including a self-supervised routing loss and damping expert errors. Finally, we show strong results for SMoEs on numerous tasks, and set new state-of-the-art results for medium-range weather prediction and post-processing ensemble weather forecasts.  ( 2 min )

In recent years, functional linear models have attracted growing attention in statistics and machine learning, with the aim of recovering the slope function or its functional predictor. This paper considers online regularized learning algorithm for functional linear models in reproducing kernel Hilbert spaces. Convergence analysis of excess prediction error and estimation error are provided with polynomially decaying step-size and constant step-size, respectively. Fast convergence rates can be derived via a capacity dependent analysis. By introducing an explicit regularization term, we uplift the saturation boundary of unregularized online learning algorithms when the step-size decays polynomially, and establish fast convergence rates of estimation error without capacity assumption. However, it remains an open problem to obtain capacity independent convergence rates for the estimation error of the unregularized online learning algorithm with decaying step-size. It also shows that convergence rates of both prediction error and estimation error with constant step-size are competitive with those in the literature.  ( 2 min )

Unsupervised learning methods are well established in the area of anomaly detection and achieve state of the art performances on outlier data sets. Outliers play a significant role, since they bear the potential to distort the predictions of a machine learning algorithm on a given data set. Especially among PCA-based methods, outliers have an additional destructive potential regarding the result: they may not only distort the orientation and translation of the principal components, they also make it more complicated to detect outliers. To address this problem, we propose the robust outlier detection algorithm CoMadOut, which satisfies two required properties: (1) being robust towards outliers and (2) detecting them. Our outlier detection method using coMAD-PCA defines dependent on its variant an inlier region with a robust noise margin by measures of in-distribution (ID) and out-of-distribution (OOD). These measures allow distribution based outlier scoring for each principal component, and thus, for an appropriate alignment of the decision boundary between normal and abnormal instances. Experiments comparing CoMadOut with traditional, deep and other comparable robust outlier detection methods showed that the performance of the introduced CoMadOut approach is competitive to well established methods related to average precision (AP), recall and area under the receiver operating characteristic (AUROC) curve. In summary our approach can be seen as a robust alternative for outlier detection tasks.  ( 2 min )

We study the problem of learning good heuristic functions for classical planning tasks with neural networks based on samples that are states with their cost-to-goal estimates. It is well known that the learned model quality depends on the training data quality. Our main goal is to understand better the influence of sample generation strategies on the performance of a greedy best-first heuristic search guided by a learned heuristic function. In a set of controlled experiments, we find that two main factors determine the quality of the learned heuristic: the regions of the state space included in the samples and the quality of the cost-to-goal estimates. Also, these two factors are interdependent: having perfect estimates of cost-to-goal is insufficient if an unrepresentative part of the state space is included in the sample set. Additionally, we study the effects of restricting samples to only include states that could be evaluated when solving a given task and the effects of adding samples with high-value estimates. Based on our findings, we propose practical strategies to improve the quality of learned heuristics: three strategies that aim to generate more representative states and two strategies that improve the cost-to-goal estimates. Our resulting neural network heuristic has higher coverage than a basic satisficing heuristic. Also, compared to a baseline learned heuristic, our best neural network heuristic almost doubles the mean coverage and can increase it for some domains by more than six times.  ( 2 min )

Previous work has shown that a neural network with the rectified linear unit (ReLU) activation function leads to a convex polyhedral decomposition of the input space. These decompositions can be represented by a dual graph with vertices corresponding to polyhedra and edges corresponding to polyhedra sharing a facet, which is a subgraph of a Hamming graph. This paper illustrates how one can utilize the dual graph to detect and analyze adversarial attacks in the context of digital images. When an image passes through a network containing ReLU nodes, the firing or non-firing at a node can be encoded as a bit ($1$ for ReLU activation, $0$ for ReLU non-activation). The sequence of all bit activations identifies the image with a bit vector, which identifies it with a polyhedron in the decomposition and, in turn, identifies it with a vertex in the dual graph. We identify ReLU bits that are discriminators between non-adversarial and adversarial images and examine how well collections of these discriminators can ensemble vote to build an adversarial image detector. Specifically, we examine the similarities and differences of ReLU bit vectors for adversarial images, and their non-adversarial counterparts, using a pre-trained ResNet-50 architecture. While this paper focuses on adversarial digital images, ResNet-50 architecture, and the ReLU activation function, our methods extend to other network architectures, activation functions, and types of datasets.  ( 2 min )

We provide time- and sample-efficient algorithms for learning and testing latent-tree Ising models, i.e. Ising models that may only be observed at their leaf nodes. On the learning side, we obtain efficient algorithms for learning a tree-structured Ising model whose leaf node distribution is close in Total Variation Distance, improving on the results of prior work. On the testing side, we provide an efficient algorithm with fewer samples for testing whether two latent-tree Ising models have leaf-node distributions that are close or far in Total Variation distance. We obtain our algorithms by showing novel localization results for the total variation distance between the leaf-node distributions of tree-structured Ising models, in terms of their marginals on pairs of leaves.  ( 2 min )

We study an issue commonly seen with graph data analysis: many real-world complex systems involving high-order interactions are best encoded by hypergraphs; however, their datasets often end up being published or studied only in the form of their projections (with dyadic edges). To understand this issue, we first establish a theoretical framework to characterize this issue's implications and worst-case scenarios. The analysis motivates our formulation of the new task, supervised hypergraph reconstruction: reconstructing a real-world hypergraph from its projected graph, with the help of some existing knowledge of the application domain. To reconstruct hypergraph data, we start by analyzing hyperedge distributions in the projection, based on which we create a framework containing two modules: (1) to handle the enormous search space of potential hyperedges, we design a sampling strategy with efficacy guarantees that significantly narrows the space to a smaller set of candidates; (2) to identify hyperedges from the candidates, we further design a hyperedge classifier in two well-working variants that capture structural features in the projection. Extensive experiments validate our claims, approach, and extensions. Remarkably, our approach outperforms all baselines by an order of magnitude in accuracy on hard datasets. Our code and data can be downloaded from bit.ly/SHyRe.  ( 2 min )

Missing data are ubiquitous in real world applications and, if not adequately handled, may lead to the loss of information and biased findings in downstream analysis. Particularly, high-dimensional incomplete data with a moderate sample size, such as analysis of multi-omics data, present daunting challenges. Imputation is arguably the most popular method for handling missing data, though existing imputation methods have a number of limitations. Single imputation methods such as matrix completion methods do not adequately account for imputation uncertainty and hence would yield improper statistical inference. In contrast, multiple imputation (MI) methods allow for proper inference but existing methods do not perform well in high-dimensional settings. Our work aims to address these significant methodological gaps, leveraging recent advances in neural network Gaussian process (NNGP) from a Bayesian viewpoint. We propose two NNGP-based MI methods, namely MI-NNGP, that can apply multiple imputations for missing values from a joint (posterior predictive) distribution. The MI-NNGP methods are shown to significantly outperform existing state-of-the-art methods on synthetic and real datasets, in terms of imputation error, statistical inference, robustness to missing rates, and computation costs, under three missing data mechanisms, MCAR, MAR, and MNAR.  ( 2 min )

Sequence processing has long been a central area of machine learning research. Recurrent neural nets have been successful in processing sequences for a number of tasks; however, they are known to be both ineffective and computationally expensive when applied to very long sequences. Compression-based methods have demonstrated more robustness when processing such sequences -- in particular, an approach pairing the Lempel-Ziv Jaccard Distance (LZJD) with the k-Nearest Neighbor algorithm has shown promise on long sequence problems (up to $T=200,000,000$ steps) involving malware classification. Unfortunately, use of LZJD is limited to discrete domains. To extend the benefits of LZJD to a continuous domain, we investigate the effectiveness of a deep-learning analog of the algorithm, the Lempel-Ziv Network. While we achieve successful proof of concept, we are unable to improve meaningfully on the performance of a standard LSTM across a variety of datasets and sequence processing tasks. In addition to presenting this negative result, our work highlights the problem of sub-par baseline tuning in newer research areas.  ( 2 min )

Fast screening and diagnosis are critical in COVID-19 patient treatment. In addition to the gold standard RT-PCR, radiological imaging like X-ray and CT also works as an important means in patient screening and follow-up. However, due to the excessive number of patients, writing reports becomes a heavy burden for radiologists. To reduce the workload of radiologists, we propose DeltaNet to generate medical reports automatically. Different from typical image captioning approaches that generate reports with an encoder and a decoder, DeltaNet applies a conditional generation process. In particular, given a medical image, DeltaNet employs three steps to generate a report: 1) first retrieving related medical reports, i.e., the historical reports from the same or similar patients; 2) then comparing retrieved images and current image to find the differences; 3) finally generating a new report to accommodate identified differences based on the conditional report. We evaluate DeltaNet on a COVID-19 dataset, where DeltaNet outperforms state-of-the-art approaches. Besides COVID-19, the proposed DeltaNet can be applied to other diseases as well. We validate its generalization capabilities on the public IU-Xray and MIMIC-CXR datasets for chest-related diseases. Code is available at \url{https://github.com/LX-doctorAI1/DeltaNet}.  ( 2 min )

A biological system is a complex network of heterogeneous molecular entities and their interactions contributing to various biological characteristics of the system. However, current biological networks are noisy, sparse, and incomplete, limiting our ability to create a holistic view of the biological system and understand the biological phenomena. Experimental identification of such interactions is both time-consuming and expensive. With the recent advancements in high-throughput data generation and significant improvement in computational power, various computational methods have been developed to predict novel interactions in the noisy network. Recently, deep learning methods such as graph neural networks have shown their effectiveness in modeling graph-structured data and achieved good performance in biomedical interaction prediction. However, graph neural networks-based methods require human expertise and experimentation to design the appropriate complexity of the model and significantly impact the performance of the model. Furthermore, deep graph neural networks face overfitting problems and tend to be poorly calibrated with high confidence on incorrect predictions. To address these challenges, we propose Bayesian model selection for graph convolutional networks to jointly infer the most plausible number of graph convolution layers (depth) warranted by data and perform dropout regularization simultaneously. Experiments on four interaction datasets show that our proposed method achieves accurate and calibrated predictions. Our proposed method enables the graph convolutional networks to dynamically adapt their depths to accommodate an increasing number of interactions.  ( 2 min )

Originating from cooperative game theory, Shapley values have become one of the most widely used measures for variable importance in applied Machine Learning. However, the statistical understanding of Shapley values is still limited. In this paper, we take a nonparametric (or smoothing) perspective by introducing Shapley curves as a local measure of variable importance. We propose two estimation strategies and derive the consistency and asymptotic normality both under independence and dependence among the features. This allows us to construct confidence intervals and conduct inference on the estimated Shapley curves. The asymptotic results are validated in extensive experiments. In an empirical application, we analyze which attributes drive the prices of vehicles.  ( 2 min )

Recent advances have indicated the strengths of self-supervised pre-training for improving representation learning on downstream tasks. Existing works often utilize self-supervised pre-trained models by fine-tuning on downstream tasks. However, fine-tuning does not generalize to the case when one needs to build a customized model architecture different from the self-supervised model. In this work, we formulate a new knowledge distillation framework to transfer the knowledge from self-supervised pre-trained models to any other student network by a novel approach named Embedding Graph Alignment. Specifically, inspired by the spirit of instance discrimination in self-supervised learning, we model the instance-instance relations by a graph formulation in the feature embedding space and distill the self-supervised teacher knowledge to a student network by aligning the teacher graph and the student graph. Our distillation scheme can be flexibly applied to transfer the self-supervised knowledge to enhance representation learning on various student networks. We demonstrate that our model outperforms multiple representative knowledge distillation methods on three benchmark datasets, including CIFAR100, STL10, and TinyImageNet. Code is here: https://github.com/yccm/EGA.  ( 2 min )

Transfer of recent advances in deep reinforcement learning to real-world applications is hindered by high data demands and thus low efficiency and scalability. Through independent improvements of components such as replay buffers or more stable learning algorithms, and through massively distributed systems, training time could be reduced from several days to several hours for standard benchmark tasks. However, while rewards in simulated environments are well-defined and easy to compute, reward evaluation becomes the bottleneck in many real-world environments, e.g., in molecular optimization tasks, where computationally demanding simulations or even experiments are required to evaluate states and to quantify rewards. Therefore, training might become prohibitively expensive without an extensive amount of computational resources and time. We propose to alleviate this problem by replacing costly ground-truth rewards with rewards modeled by neural networks, counteracting non-stationarity of state and reward distributions during training with an active learning component. We demonstrate that using our proposed ACRL method (Actively learning Costly rewards for Reinforcement Learning), it is possible to train agents in complex real-world environments orders of magnitudes faster. By enabling the application of reinforcement learning methods to new domains, we show that we can find interesting and non-trivial solutions to real-world optimization problems in chemistry, materials science and engineering.  ( 2 min )

Various state-of-the-art self-supervised visual representation learning approaches take advantage of data from multiple sensors by aligning the feature representations across views and/or modalities. In this work, we investigate how aligning representations affects the visual features obtained from cross-view and cross-modal contrastive learning on images and point clouds. On five real-world datasets and on five tasks, we train and evaluate 108 models based on four pretraining variations. We find that cross-modal representation alignment discards complementary visual information, such as color and texture, and instead emphasizes redundant depth cues. The depth cues obtained from pretraining improve downstream depth prediction performance. Also overall, cross-modal alignment leads to more robust encoders than pre-training by cross-view alignment, especially on depth prediction, instance segmentation, and object detection.  ( 2 min )

Deep reinforcement learning (DRL) breaks through the bottlenecks of traditional reinforcement learning (RL) with the help of the perception capability of deep learning and has been widely applied in real-world problems.While model-free RL, as a class of efficient DRL methods, performs the learning of state representations simultaneously with policy learning in an end-to-end manner when facing large-scale continuous state and action spaces. However, training such a large policy model requires a large number of trajectory samples and training time. On the other hand, the learned policy often fails to generalize to large-scale action spaces, especially for the continuous action spaces. To address this issue, in this paper we propose an efficient policy learning method in latent state and action spaces. More specifically, we extend the idea of state representations to action representations for better policy generalization capability. Meanwhile, we divide the whole learning task into learning with the large-scale representation models in an unsupervised manner and learning with the small-scale policy model in the RL manner.The small policy model facilitates policy learning, while not sacrificing generalization and expressiveness via the large representation model. Finally,the effectiveness of the proposed method is demonstrated by MountainCar,CarRacing and Cheetah experiments.  ( 2 min )

Explainable artificial intelligence (XAI) methods are expected to improve trust during human-AI interactions, provide tools for model analysis and extend human understanding of complex problems. Explanation-supervised training allows to improve explanation quality by training self-explaining XAI models on ground truth or human-generated explanations. However, existing explanation methods have limited expressiveness and interoperability due to the fact that only single explanations in form of node and edge importance are generated. To that end we propose the novel multi-explanation graph attention network (MEGAN). Our fully differentiable, attention-based model features multiple explanation channels, which can be chosen independently of the task specifications. We first validate our model on a synthetic graph regression dataset. We show that for the special single explanation case, our model significantly outperforms existing post-hoc and explanation-supervised baseline methods. Furthermore, we demonstrate significant advantages when using two explanations, both in quantitative explanation measures as well as in human interpretability. Finally, we demonstrate our model's capabilities on multiple real-world datasets. We find that our model produces sparse high-fidelity explanations consistent with human intuition about those tasks and at the same time matches state-of-the-art graph neural networks in predictive performance, indicating that explanations and accuracy are not necessarily a trade-off.  ( 2 min )

GPS trajectories are the essential foundations for many trajectory-based applications, such as travel time estimation, traffic prediction and trajectory similarity measurement. Most applications require a large amount of high sample rate trajectories to achieve a good performance. However, many real-life trajectories are collected with low sample rate due to energy concern or other constraints.We study the task of trajectory recovery in this paper as a means for increasing the sample rate of low sample trajectories. Currently, most existing works on trajectory recovery follow a sequence-to-sequence diagram, with an encoder to encode a trajectory and a decoder to recover real GPS points in the trajectory. However, these works ignore the topology of road network and only use grid information or raw GPS points as input. Therefore, the encoder model is not able to capture rich spatial information of the GPS points along the trajectory, making the prediction less accurate and lack spatial consistency. In this paper, we propose a road network enhanced transformer-based framework, namely RNTrajRec, for trajectory recovery. RNTrajRec first uses a graph model, namely GridGNN, to learn the embedding features of each road segment. It next develops a Sub-Graph Generation module to represent each GPS point as a sub-graph structure of the road network around the GPS point. It then introduces a spatial-temporal transformer model, namely GPSFormer, to learn rich spatial and temporal features. It finally forwards the outputs of encoder model into a multi-task decoder model to recover the missing GPS points. Extensive experiments based on three large-scale real-life trajectory datasets confirm the effectiveness of our approach.  ( 2 min )

Given a pair of models with similar training set performance, it is natural to assume that the model that possesses simpler internal representations would exhibit better generalization. In this work, we provide empirical evidence for this intuition through an analysis of the intrinsic dimension (ID) of model activations, which can be thought of as the minimal number of factors of variation in the model's representation of the data. First, we show that common regularization techniques uniformly decrease the last-layer ID (LLID) of validation set activations for image classification models and show how this strongly affects generalization performance. We also investigate how excessive regularization decreases a model's ability to extract features from data in earlier layers, leading to a negative effect on validation accuracy even while LLID continues to decrease and training accuracy remains near-perfect. Finally, we examine the LLID over the course of training of models that exhibit grokking. We observe that well after training accuracy saturates, when models ``grok'' and validation accuracy suddenly improves from random to perfect, there is a co-occurent sudden drop in LLID, thus providing more insight into the dynamics of sudden generalization.  ( 2 min )

Multiparametric magnetic resonance imaging (mp-MRI) has shown excellent results in the detection of prostate cancer (PCa). However, characterizing prostate lesions aggressiveness in mp-MRI sequences is impossible in clinical practice, and biopsy remains the reference to determine the Gleason score (GS). In this work, we propose a novel end-to-end multi-class network that jointly segments the prostate gland and cancer lesions with GS group grading. After encoding the information on a latent space, the network is separated in two branches: 1) the first branch performs prostate segmentation 2) the second branch uses this zonal prior as an attention gate for the detection and grading of prostate lesions. The model was trained and validated with a 5-fold cross-validation on an heterogeneous series of 219 MRI exams acquired on three different scanners prior prostatectomy. In the free-response receiver operating characteristics (FROC) analysis for clinically significant lesions (defined as GS > 6) detection, our model achieves 69.0% $\pm$14.5% sensitivity at 2.9 false positive per patient on the whole prostate and 70.8% $\pm$14.4% sensitivity at 1.5 false positive when considering the peripheral zone (PZ) only. Regarding the automatic GS group  ( 2 min )

In the U.S., corn is the most produced crop and has been an essential part of the American diet. To meet the demand for supply chain management and regional food security, accurate and timely large-scale corn yield prediction is attracting more attention in precision agriculture. Recently, remote sensing technology and machine learning methods have been widely explored for crop yield prediction. Currently, most county-level yield prediction models use county-level mean variables for prediction, ignoring much detailed information. Moreover, inconsistent spatial resolution between crop area and satellite sensors results in mixed pixels, which may decrease the prediction accuracy. Only a few works have addressed the mixed pixels problem in large-scale crop yield prediction. To address the information loss and mixed pixels problem, we developed a variational autoencoder (VAE) based multiple instance regression (MIR) model for large-scaled corn yield prediction. We use all unlabeled data to train a VAE and the well-trained VAE for anomaly detection. As a preprocess method, anomaly detection can help MIR find a better representation of every bag than traditional MIR methods, thus better performing in large-scale corn yield prediction. Our experiments showed that variational autoencoder based multiple instance regression (VAEMIR) outperformed all baseline methods in large-scale corn yield prediction. Though a suitable meta parameter is required, VAEMIR shows excellent potential in feature learning and extraction for large-scale corn yield prediction.  ( 2 min )

Currently, attention mechanism becomes a standard fixture in most state-of-the-art natural language processing (NLP) models, not only due to outstanding performance it could gain, but also due to plausible innate explanation for the behaviors of neural architectures it provides, which is notoriously difficult to analyze. However, recent studies show that attention is unstable against randomness and perturbations during training or testing, such as random seeds and slight perturbation of embedding vectors, which impedes it from becoming a faithful explanation tool. Thus, a natural question is whether we can find some substitute of the current attention which is more stable and could keep the most important characteristics on explanation and prediction of attention. In this paper, to resolve the problem, we provide a first rigorous definition of such alternate namely SEAT (Stable and Explainable Attention). Specifically, a SEAT should has the following three properties: (1) Its prediction distribution is enforced to be close to the distribution based on the vanilla attention; (2) Its top-k indices have large overlaps with those of the vanilla attention; (3) It is robust w.r.t perturbations, i.e., any slight perturbation on SEAT will not change the prediction distribution too much, which implicitly indicates that it is stable to randomness and perturbations. Finally, through intensive experiments on various datasets, we compare our SEAT with other baseline methods using RNN, BiLSTM and BERT architectures via six different evaluation metrics for model interpretation, stability and accuracy. Results show that SEAT is more stable against different perturbations and randomness while also keeps the explainability of attention, which indicates it is a more faithful explanation. Moreover, compared with vanilla attention, there is almost no utility (accuracy) degradation for SEAT.  ( 3 min )

The International Workshop on Reading Music Systems (WoRMS) is a workshop that tries to connect researchers who develop systems for reading music, such as in the field of Optical Music Recognition, with other researchers and practitioners that could benefit from such systems, like librarians or musicologists. The relevant topics of interest for the workshop include, but are not limited to: Music reading systems; Optical music recognition; Datasets and performance evaluation; Image processing on music scores; Writer identification; Authoring, editing, storing and presentation systems for music scores; Multi-modal systems; Novel input-methods for music to produce written music; Web-based Music Information Retrieval services; Applications and projects; Use-cases related to written music. These are the proceedings of the 4th International Workshop on Reading Music Systems, held online on Nov. 18th 2022.  ( 2 min )

Quantum kernel method is one of the key approaches to quantum machine learning, which has the advantages that it does not require optimization and has theoretical simplicity. By virtue of these properties, several experimental demonstrations and discussions of the potential advantages have been developed so far. However, as is the case in classical machine learning, not all quantum machine learning models could be regarded as kernel methods. In this work, we explore a quantum machine learning model with a deep parameterized quantum circuit and aim to go beyond the conventional quantum kernel method. In this case, the representation power and performance are expected to be enhanced, while the training process might be a bottleneck because of the barren plateaus issue. However, we find that parameters of a deep enough quantum circuit do not move much from its initial values during training, allowing first-order expansion with respect to the parameters. This behavior is similar to the neural tangent kernel in the classical literatures, and such a deep variational quantum machine learning can be described by another emergent kernel, quantum tangent kernel. Numerical simulations show that the proposed quantum tangent kernel outperforms the conventional quantum kernel method for an ansatz-generated dataset. This work provides a new direction beyond the conventional quantum kernel method and explores potential power of quantum machine learning with deep parameterized quantum circuits.

Complete computation of turbulent combustion flow involves two separate steps: mapping reaction kinetics to low-dimensional manifolds and looking-up this approximate manifold during CFD run-time to estimate the thermo-chemical state variables. In our previous work, we showed that using a deep architecture to learn the two steps jointly, instead of separately, is 73% more accurate at estimating the source energy, a key state variable, compared to benchmarks and can be integrated within a DNS turbulent combustion framework. In their natural form, such deep architectures do not allow for uncertainty quantification of the quantities of interest: the source energy and key species source terms. In this paper, we expand on such architectures, specifically ChemTab, by introducing deep ensembles to approximate the posterior distribution of the quantities of interest. We investigate two strategies of creating these ensemble models: one that keeps the flamelet origin information (Flamelets strategy) and one that ignores the origin and considers all the data independently (Points strategy). To train these models we used flamelet data generated by the GRI--Mech 3.0 methane mechanism, which consists of 53 chemical species and 325 reactions. Our results demonstrate that the Flamelets strategy is superior in terms of the absolute prediction error for the quantities of interest, but is reliant on the types of flamelets used to train the ensemble. The Points strategy is best at capturing the variability of the quantities of interest, independent of the flamelet types. We conclude that, overall, ChemTab Deep Ensembles allows for a more accurate representation of the source energy and key species source terms, compared to the model without these modifications.

We study the problem of zero-order optimization of a strongly convex function. The goal is to find the minimizer of the function by a sequential exploration of its values, under measurement noise. We study the impact of higher order smoothness properties of the function on the optimization error and on the cumulative regret. To solve this problem we consider a randomized approximation of the projected gradient descent algorithm. The gradient is estimated by a randomized procedure involving two function evaluations and a smoothing kernel. We derive upper bounds for this algorithm both in the constrained and unconstrained settings and prove minimax lower bounds for any sequential search method. Our results imply that the zero-order algorithm is nearly optimal in terms of sample complexity and the problem parameters. Based on this algorithm, we also propose an estimator of the minimum value of the function achieving almost sharp oracle behavior. We compare our results with the state-of-the-art, highlighting a number of key improvements.

Moment methods are an important means of density estimation, but they are generally strongly dependent on the choice of feasible functions, which severely affects the performance. In this paper, which is a very preliminary version, we propose a non-classical parametrization for density estimation using the sample moments, which does not require the choice of such functions. The parametrization is induced by the squared Hellinger distance, and the solution of it, which is proved to exist and be unique subject to simple prior that does not depend on data, can be obtained by convex optimization. Simulation results show the performance of the proposed estimator in estimating multi-modal densities which are mixtures of different types of functions, with a comparison to the prevailing methods.

Gradient estimation -- approximating the gradient of an expectation with respect to the parameters of a distribution -- is central to the solution of many machine learning problems. However, when the distribution is discrete, most common gradient estimators suffer from excessive variance. To improve the quality of gradient estimation, we introduce a variance reduction technique based on Stein operators for discrete distributions. We then use this technique to build flexible control variates for the REINFORCE leave-one-out estimator. Our control variates can be adapted online to minimize variance and do not require extra evaluations of the target function. In benchmark generative modeling tasks such as training binary variational autoencoders, our gradient estimator achieves substantially lower variance than state-of-the-art estimators with the same number of function evaluations.

The accurate estimation of time delays is crucial in traffic congestion analysis, as this information can be used to address fundamental questions regarding the origin and propagation of traffic congestion. However, the exact measurement of time delays during congestion remains a challenge owing to the complex propagation process between roads and high uncertainty regarding future behavior. To overcome this challenge, we propose a novel time delay estimation method for the propagation of traffic congestion due to accidents using lag-specific transfer entropy (TE). The proposed method adopts Markov bootstrap techniques to quantify uncertainty in the time delay estimator. To the best of our knowledge, our proposed method is the first to estimate time delays based on causal relationships between adjacent roads. We validated the method's efficacy using simulated data, as well as real user trajectory data obtained from a major GPS navigation system in South Korea.

Weak supervision (WS) is a rich set of techniques that produce pseudolabels by aggregating easily obtained but potentially noisy label estimates from a variety of sources. WS is theoretically well understood for binary classification, where simple approaches enable consistent estimation of pseudolabel noise rates. Using this result, it has been shown that downstream models trained on the pseudolabels have generalization guarantees nearly identical to those trained on clean labels. While this is exciting, users often wish to use WS for structured prediction, where the output space consists of more than a binary or multi-class label set: e.g. rankings, graphs, manifolds, and more. Do the favorable theoretical properties of WS for binary classification lift to this setting? We answer this question in the affirmative for a wide range of scenarios. For labels taking values in a finite metric space, we introduce techniques new to weak supervision based on pseudo-Euclidean embeddings and tensor decompositions, providing a nearly-consistent noise rate estimator. For labels in constant-curvature Riemannian manifolds, we introduce new invariants that also yield consistent noise rate estimation. In both cases, when using the resulting pseudolabels in concert with a flexible downstream model, we obtain generalization guarantees nearly identical to those for models trained on clean data. Several of our results, which can be viewed as robustness guarantees in structured prediction with noisy labels, may be of independent interest. Empirical evaluation validates our claims and shows the merits of the proposed method.

In federated learning (FL) systems, e.g., wireless networks, the communication cost between the clients and the central server can often be a bottleneck. To reduce the communication cost, the paradigm of communication compression has become a popular strategy in the literature. In this paper, we focus on biased gradient compression techniques in non-convex FL problems. In the classical setting of distributed learning, the method of error feedback (EF) is a common technique to remedy the downsides of biased gradient compression. In this work, we study a compressed FL scheme equipped with error feedback, named Fed-EF. We further propose two variants: Fed-EF-SGD and Fed-EF-AMS, depending on the choice of the global model optimizer. We provide a generic theoretical analysis, which shows that directly applying biased compression in FL leads to a non-vanishing bias in the convergence rate. The proposed Fed-EF is able to match the convergence rate of the full-precision FL counterparts under data heterogeneity with a linear speedup. Moreover, we develop a new analysis of the EF under partial client participation, which is an important scenario in FL. We prove that under partial participation, the convergence rate of Fed-EF exhibits an extra slow-down factor due to a so-called ``stale error compensation'' effect. A numerical study is conducted to justify the intuitive impact of stale error accumulation on the norm convergence of Fed-EF under partial participation. Finally, we also demonstrate that incorporating the two-way compression in Fed-EF does not change the convergence results. In summary, our work conducts a thorough analysis of the error feedback in federated non-convex optimization. Our analysis with partial client participation also provides insights on a theoretical limitation of the error feedback mechanism, and possible directions for improvements.

A master face is a face image that passes face-based identity authentication for a high percentage of the population. These faces can be used to impersonate, with a high probability of success, any user, without having access to any user information. We optimize these faces for 2D and 3D face verification models, by using an evolutionary algorithm in the latent embedding space of the StyleGAN face generator. For 2D face verification, multiple evolutionary strategies are compared, and we propose a novel approach that employs a neural network to direct the search toward promising samples, without adding fitness evaluations. The results we present demonstrate that it is possible to obtain a considerable coverage of the identities in the LFW or RFW datasets with less than 10 master faces, for six leading deep face recognition systems. In 3D, we generate faces using the 2D StyleGAN2 generator and predict a 3D structure using a deep 3D face reconstruction network. When employing two different 3D face recognition systems, we are able to obtain a coverage of 40%-50%. Additionally, we present the generation of paired 2D RGB and 3D master faces, which simultaneously match 2D and 3D models with high impersonation rates.

We introduce the concepts of inverse solvability and security for a generic linear forward model and demonstrate how they can be applied to models used in federated learning. We provide examples of such models which differ in the resulting inverse solvability and security as defined in this paper. We also show how the large number of users participating in a given iteration of federated learning can be leveraged to increase both solvability and security. Finally, we discuss possible extensions of the presented concepts including the nonlinear case.

We consider dense, associative neural-networks trained with no supervision and we investigate their computational capabilities analytically, via a statistical-mechanics approach, and numerically, via Monte Carlo simulations. In particular, we obtain a phase diagram summarizing their performance as a function of the control parameters such as the quality and quantity of the training dataset and the network storage, valid in the limit of large network size and structureless datasets. Moreover, we establish a bridge between macroscopic observables standardly used in statistical mechanics and loss functions typically used in the machine learning. As technical remarks, from the analytic side, we implement large deviations and stability analysis within Guerra's interpolation to tackle the not-Gaussian distributions involved in the post-synaptic potentials while, from the computational counterpart, we insert Plefka approximation in the Monte Carlo scheme, to speed up the evaluation of the synaptic tensors, overall obtaining a novel and broad approach to investigate neural networks in general.

Originating from cooperative game theory, Shapley values have become one of the most widely used measures for variable importance in applied Machine Learning. However, the statistical understanding of Shapley values is still limited. In this paper, we take a nonparametric (or smoothing) perspective by introducing Shapley curves as a local measure of variable importance. We propose two estimation strategies and derive the consistency and asymptotic normality both under independence and dependence among the features. This allows us to construct confidence intervals and conduct inference on the estimated Shapley curves. The asymptotic results are validated in extensive experiments. In an empirical application, we analyze which attributes drive the prices of vehicles.

In this technical note, we introduce an improved variant of nearest neighbors for counterfactual inference in panel data settings where multiple units are assigned multiple treatments over multiple time points, each sampled with constant probabilities. We call this estimator a doubly robust nearest neighbor estimator and provide a high probability non-asymptotic error bound for the mean parameter corresponding to each unit at each time. Our guarantee shows that the doubly robust estimator provides a (near-)quadratic improvement in the error compared to nearest neighbor estimators analyzed in prior work for these settings.

A recurrent neural network (RNN) is a widely used deep-learning network for dealing with sequential data. Imitating a dynamical system, an infinite-width RNN can approximate any open dynamical system in a compact domain. In general, deep networks with bounded widths are more effective than wide networks in practice; however, the universal approximation theorem for deep narrow structures has yet to be extensively studied. In this study, we prove the universality of deep narrow RNNs and show that the upper bound of the minimum width for universality can be independent of the length of the data. Specifically, we show that a deep RNN with ReLU activation can approximate any continuous function or $L^p$ function with the widths $d_x+d_y+2$ and $\max\{d_x+1,d_y\}$, respectively, where the target function maps a finite sequence of vectors in $\mathbb{R}^{d_x}$ to a finite sequence of vectors in $\mathbb{R}^{d_y}$. We also compute the additional width required if the activation function is $\tanh$ or more. In addition, we prove the universality of other recurrent networks, such as bidirectional RNNs. Bridging a multi-layer perceptron and an RNN, our theory and proof technique can be an initial step toward further research on deep RNNs.

We explore the application of a nonlinear MCMC technique first introduced in [1] to problems in Bayesian machine learning. We provide a convergence guarantee in total variation that uses novel results for long-time convergence and large-particle ("propagation of chaos") convergence. We apply this nonlinear MCMC technique to sampling problems including a Bayesian neural network on CIFAR10.

While there has been progress in developing non-vacuous generalization bounds for deep neural networks, these bounds tend to be uninformative about why deep learning works. In this paper, we develop a compression approach based on quantizing neural network parameters in a linear subspace, profoundly improving on previous results to provide state-of-the-art generalization bounds on a variety of tasks, including transfer learning. We use these tight bounds to better understand the role of model size, equivariance, and the implicit biases of optimization, for generalization in deep learning. Notably, we find large models can be compressed to a much greater extent than previously known, encapsulating Occam's razor. We also argue for data-independent bounds in explaining generalization.

Particle-based variational inference (VI) minimizes the KL divergence between model samples and the target posterior with gradient flow estimates. With the popularity of Stein variational gradient descent (SVGD), the focus of particle-based VI algorithms has been on the properties of functions in Reproducing Kernel Hilbert Space (RKHS) to approximate the gradient flow. However, the requirement of RKHS restricts the function class and algorithmic flexibility. This paper remedies the problem by proposing a general framework to obtain tractable functional gradient flow estimates. The functional gradient flow in our framework can be defined by a general functional regularization term that includes the RKHS norm as a special case. We use our framework to propose a new particle-based VI algorithm: preconditioned functional gradient flow (PFG). Compared with SVGD, the proposed method has several advantages: larger function class; greater scalability in large particle-size scenarios; better adaptation to ill-conditioned distributions; provable continuous-time convergence in KL divergence. Non-linear function classes such as neural networks can be incorporated to estimate the gradient flow. Both theory and experiments have shown the effectiveness of our framework.

Self-learning Monte Carlo (SLMC) methods are recently proposed to accelerate Markov chain Monte Carlo (MCMC) methods by using a machine learning model.With generative models having latent variables, SLMC methods realize efficient Monte Carlo updates with less autocorrelation. However, SLMC methods are difficult to directly apply to multimodal distributions for which training data are difficult to obtain. In this paper, we propose a novel SLMC method called the ``annealing VAE-SLMC" to drastically expand the range of applications. Our VAE-SLMC utilizes a variational autoencoder (VAE) as a generative model to make efficient parallel proposals independent of any previous state by applying the theoretically derived implicit isometricity of the VAE. We combine an adaptive annealing process to the VAE-SLMC, making our method applicable to the cases where obtaining unbiased training data is difficult in practical sense due to slow mixing. We also propose a parallel annealing process and an exchange process between chains to make the annealing operation more precise and efficient. Experiments validate that our method can proficiently obtain unbiased samples from multiple multimodal toy distributions and practical multimodal posterior distributions, which is difficult to achieve with the existing SLMC methods.

In this paper, we consider a class of nonconvex-nonconcave minimax problems, i.e., NC-PL minimax problems, whose objective functions satisfy the Polyak-$\L$ojasiewicz (PL) condition with respect to the inner variable. We propose a zeroth-order alternating gradient descent ascent (ZO-AGDA) algorithm and a zeroth-order variance reduced alternating gradient descent ascent (ZO-VRAGDA) algorithm for solving NC-PL minimax problem under the deterministic and the stochastic setting, respectively. The number of iterations to obtain an $\epsilon$-stationary point of ZO-AGDA and ZO-VRAGDA algorithm for solving NC-PL minimax problem is upper bounded by $\mathcal{O}(\varepsilon^{-2})$ and $\mathcal{O}(\varepsilon^{-3})$, respectively. To the best of our knowledge, they are the first two zeroth-order algorithms with the iteration complexity gurantee for solving NC-PL minimax problems.

In recent years, functional linear models have attracted growing attention in statistics and machine learning, with the aim of recovering the slope function or its functional predictor. This paper considers online regularized learning algorithm for functional linear models in reproducing kernel Hilbert spaces. Convergence analysis of excess prediction error and estimation error are provided with polynomially decaying step-size and constant step-size, respectively. Fast convergence rates can be derived via a capacity dependent analysis. By introducing an explicit regularization term, we uplift the saturation boundary of unregularized online learning algorithms when the step-size decays polynomially, and establish fast convergence rates of estimation error without capacity assumption. However, it remains an open problem to obtain capacity independent convergence rates for the estimation error of the unregularized online learning algorithm with decaying step-size. It also shows that convergence rates of both prediction error and estimation error with constant step-size are competitive with those in the literature.

Information-directed sampling (IDS) has revealed its potential as a data-efficient algorithm for reinforcement learning (RL). However, theoretical understanding of IDS for Markov Decision Processes (MDPs) is still limited. We develop novel information-theoretic tools to bound the information ratio and cumulative information gain about the learning target. Our theoretical results shed light on the importance of choosing the learning target such that the practitioners can balance the computation and regret bounds. As a consequence, we derive prior-free Bayesian regret bounds for vanilla-IDS which learns the whole environment under tabular finite-horizon MDPs. In addition, we propose a computationally-efficient regularized-IDS that maximizes an additive form rather than the ratio form and show that it enjoys the same regret bound as vanilla-IDS. With the aid of rate-distortion theory, we improve the regret bound by learning a surrogate, less informative environment. Furthermore, we extend our analysis to linear MDPs and prove similar regret bounds for Thompson sampling as a by-product.

Inferring causal structure from data is a challenging task of fundamental importance in science. Observational data are often insufficient to identify a system's causal structure uniquely. While conducting interventions (i.e., experiments) can improve the identifiability, such samples are usually challenging and expensive to obtain. Hence, experimental design approaches for causal discovery aim to minimize the number of interventions by estimating the most informative intervention target. In this work, we propose a novel Gradient-based Intervention Targeting method, abbreviated GIT, that 'trusts' the gradient estimator of a gradient-based causal discovery framework to provide signals for the intervention acquisition function. We provide extensive experiments in simulated and real-world datasets and demonstrate that GIT performs on par with competitive baselines, surpassing them in the low-data regime.

The classic algorithm AdaBoost allows to convert a weak learner, that is an algorithm that produces a hypothesis which is slightly better than chance, into a strong learner, achieving arbitrarily high accuracy when given enough training data. We present a new algorithm that constructs a strong learner from a weak learner but uses less training data than AdaBoost and all other weak to strong learners to achieve the same generalization bounds. A sample complexity lower bound shows that our new algorithm uses the minimum possible amount of training data and is thus optimal. Hence, this work settles the sample complexity of the classic problem of constructing a strong learner from a weak learner.

We introduce Probabilistic Rank and Reward (PRR), a scalable probabilistic model for personalized slate recommendation. Our approach allows state-of-the-art estimation of the user interests in the ubiquitous scenario where the user interacts with at most one item from a slate of K items. We show that the probability of a slate being successful can be learned efficiently by combining the reward, whether the user successfully interacted with the slate, and the rank, the item that was selected within the slate. PRR outperforms competing approaches that use one signal or the other and is far more scalable to large action spaces. Moreover, PRR allows fast delivery of recommendations powered by maximum inner product search (MIPS), making it suitable in low latency domains such as computational advertising.

K-FAC is a successful tractable implementation of Natural Gradient for Deep Learning, which nevertheless suffers from the requirement to compute the inverse of the Kronecker factors (through an eigen-decomposition). This can be very time-consuming (or even prohibitive) when these factors are large. In this paper, we theoretically show that, owing to the exponential-average construction paradigm of the Kronecker factors that is typically used, their eigen-spectrum must decay. We show numerically that in practice this decay is very rapid, leading to the idea that we could save substantial computation by only focusing on the first few eigen-modes when inverting the Kronecker-factors. Importantly, the spectrum decay happens over a constant number of modes irrespectively of the layer width. This allows us to reduce the time complexity of K-FAC from cubic to quadratic in layer width, partially closing the gap w.r.t. SENG (another practical Natural Gradient implementation for Deep learning which scales linearly in width). Randomized Numerical Linear Algebra provides us with the necessary tools to do so. Numerical results show we obtain $\approx2.5\times$ reduction in per-epoch time and $\approx3.3\times$ reduction in time to target accuracy. We compare our proposed K-FAC sped-up versions SENG, and observe that for CIFAR10 classification with VGG16_bn we perform on par with it.

We propose \textbf{JAWS}, a series of wrapper methods for distribution-free uncertainty quantification tasks under covariate shift, centered on the core method \textbf{JAW}, the \textbf{JA}ckknife+ \textbf{W}eighted with data-dependent likelihood-ratio weights. JAWS also includes computationally efficient \textbf{A}pproximations of JAW using higher-order influence functions: \textbf{JAWA}. Theoretically, we show that JAW relaxes the jackknife+'s assumption of data exchangeability to achieve the same finite-sample coverage guarantee even under covariate shift. JAWA further approaches the JAW guarantee in the limit of the sample size or the influence function order under common regularity assumptions. Moreover, we propose a general approach to repurposing predictive interval-generating methods and their guarantees to the reverse task: estimating the probability that a prediction is erroneous, based on user-specified error criteria such as a safe or acceptable tolerance threshold around the true label. We then propose \textbf{JAW-E} and \textbf{JAWA-E} as the repurposed proposed methods for this \textbf{E}rror assessment task. Practically, JAWS outperform state-of-the-art predictive inference baselines in a variety of biased real world data sets for interval-generation and error-assessment predictive uncertainty auditing tasks.

The rapid progress of machine learning interatomic potentials over the past couple of years produced a number of new architectures. Particularly notable among these are the Atomic Cluster Expansion (ACE), which unified many of the earlier ideas around atom density-based descriptors, and Neural Equivariant Interatomic Potentials (NequIP), a message passing neural network with equivariant features that showed state of the art accuracy. In this work, we construct a mathematical framework that unifies these models: ACE is generalised so that it can be recast as one layer of a multi-layer architecture. From another point of view, the linearised version of NequIP is understood as a particular sparsification of a much larger polynomial model. Our framework also provides a practical tool for systematically probing different choices in the unified design space. We demonstrate this by an ablation study of NequIP via a set of experiments looking at in- and out-of-domain accuracy and smooth extrapolation very far from the training data, and shed some light on which design choices are critical for achieving high accuracy. Finally, we present BOTNet (Body-Ordered-Tensor-Network), a much-simplified version of NequIP, which has an interpretable architecture and maintains accuracy on benchmark datasets.

Offline reinforcement learning, which aims at optimizing sequential decision-making strategies with historical data, has been extensively applied in real-life applications. State-Of-The-Art algorithms usually leverage powerful function approximators (e.g. neural networks) to alleviate the sample complexity hurdle for better empirical performances. Despite the successes, a more systematic understanding of the statistical complexity for function approximation remains lacking. Towards bridging the gap, we take a step by considering offline reinforcement learning with differentiable function class approximation (DFA). This function class naturally incorporates a wide range of models with nonlinear/nonconvex structures. Most importantly, we show offline RL with differentiable function approximation is provably efficient by analyzing the pessimistic fitted Q-learning (PFQL) algorithm, and our results provide the theoretical basis for understanding a variety of practical heuristics that rely on Fitted Q-Iteration style design. In addition, we further improve our guarantee with a tighter instance-dependent characterization. We hope our work could draw interest in studying reinforcement learning with differentiable function approximation beyond the scope of current research.

Neural networks have shown great predictive power when dealing with various unstructured data such as images and natural languages. The Bayesian neural network captures the uncertainty of prediction by putting a prior distribution for the parameter of the model and computing the posterior distribution. In this paper, we show that the Bayesian neural network using spike-and-slab prior has consistency with nearly minimax convergence rate when the true regression function is in the Besov space. Even when the smoothness of the regression function is unknown the same posterior convergence rate holds and thus the spike-and-slab prior is adaptive to the smoothness of the regression function. We also consider the shrinkage prior, which is more feasible than other priors, and show that it has the same convergence rate. In other words, we propose a practical Bayesian neural network with guaranteed asymptotic properties.

We consider the problem of interactive decision making, encompassing structured bandits and reinforcement learning with general function approximation. Recently, Foster et al. (2021) introduced the Decision-Estimation Coefficient, a measure of statistical complexity that lower bounds the optimal regret for interactive decision making, as well as a meta-algorithm, Estimation-to-Decisions, which achieves upper bounds in terms of the same quantity. Estimation-to-Decisions is a reduction, which lifts algorithms for (supervised) online estimation into algorithms for decision making. In this note, we show that by combining Estimation-to-Decisions with a specialized form of optimistic estimation introduced by Zhang (2022), it is possible to obtain guarantees that improve upon those of Foster et al. (2021) by accommodating more lenient notions of estimation error. We use this approach to derive regret bounds for model-free reinforcement learning with value function approximation.

Over the last decade, deep neural networks have transformed our society, and they are already widely applied in various machine learning applications. State-of-art deep neural networks are becoming larger in size every year to deliver increasing model accuracy, and as a result, model training consumes substantial computing resources and will only consume more in the future. Using current training methods, in each iteration, to process a data point $x \in \mathbb{R}^d$ in a layer, we need to spend $\Theta(md)$ time to evaluate all the $m$ neurons in the layer. This means processing the entire layer takes $\Theta(nmd)$ time for $n$ data points. Recent work [Song, Yang and Zhang, NeurIPS 2021] reduces this time per iteration to $o(nmd)$, but requires exponential time to preprocess either the data or the neural network weights, making it unlikely to have practical usage. In this work, we present a new preprocessing method that simply stores the weight-data correlation in a tree data structure in order to quickly, dynamically detect which neurons fire at each iteration. Our method requires only $O(nmd)$ time in preprocessing and still achieves $o(nmd)$ time per iteration. We complement our new algorithm with a lower bound, proving that assuming a popular conjecture from complexity theory, one could not substantially speed up our algorithm for dynamic detection of firing neurons.

Cryo-electron microscopy (cryo-EM) is unique among tools in structural biology in its ability to image large, dynamic protein complexes. Key to this ability is image processing algorithms for heterogeneous cryo-EM reconstruction, including recent deep learning-based approaches. The state-of-the-art method cryoDRGN uses a Variational Autoencoder (VAE) framework to learn a continuous distribution of protein structures from single particle cryo-EM imaging data. While cryoDRGN can model complex structural motions, the Gaussian prior distribution of the VAE fails to match the aggregate approximate posterior, which prevents generative sampling of structures especially for multi-modal distributions (e.g. compositional heterogeneity). Here, we train a diffusion model as an expressive, learnable prior in the cryoDRGN framework. Our approach learns a high-quality generative model over molecular conformations directly from cryo-EM imaging data. We show the ability to sample from the model on two synthetic and two real datasets, where samples accurately follow the data distribution unlike samples from the VAE prior distribution. We also demonstrate how the diffusion model prior can be leveraged for fast latent space traversal and interpolation between states of interest. By learning an accurate model of the data distribution, our method unlocks tools in generative modeling, sampling, and distribution analysis for heterogeneous cryo-EM ensembles.

Post-hoc multi-class calibration is a common approach for providing high-quality confidence estimates of deep neural network predictions. Recent work has shown that widely used scaling methods underestimate their calibration error, while alternative Histogram Binning (HB) methods often fail to preserve classification accuracy. When classes have small prior probabilities, HB also faces the issue of severe sample-inefficiency after the conversion into K one-vs-rest class-wise calibration problems. The goal of this paper is to resolve the identified issues of HB in order to provide calibrated confidence estimates using only a small holdout calibration dataset for bin optimization while preserving multi-class ranking accuracy. From an information-theoretic perspective, we derive the I-Max concept for binning, which maximizes the mutual information between labels and quantized logits. This concept mitigates potential loss in ranking performance due to lossy quantization, and by disentangling the optimization of bin edges and representatives allows simultaneous improvement of ranking and calibration performance. To improve the sample efficiency and estimates from a small calibration set, we propose a shared class-wise (sCW) calibration strategy, sharing one calibrator among similar classes (e.g., with similar class priors) so that the training sets of their class-wise calibration problems can be merged to train the single calibrator. The combination of sCW and I-Max binning outperforms the state of the art calibration methods on various evaluation metrics across different benchmark datasets and models, using a small calibration set (e.g., 1k samples for ImageNet).

Plotting a learner's generalization performance against the training set size results in a so-called learning curve. This tool, providing insight in the behavior of the learner, is also practically valuable for model selection, predicting the effect of more training data, and reducing the computational complexity of training. We set out to make the (ideal) learning curve concept precise and briefly discuss the aforementioned usages of such curves. The larger part of this survey's focus, however, is on learning curves that show that more data does not necessarily leads to better generalization performance. A result that seems surprising to many researchers in the field of artificial intelligence. We point out the significance of these findings and conclude our survey with an overview and discussion of open problems in this area that warrant further theoretical and empirical investigation.

The rise of generalist large-scale models in natural language and vision has made us expect that a massive data-driven approach could achieve broader generalization in other domains such as continuous control. In this work, we explore a method for learning a single policy that manipulates various forms of agents to solve various tasks by distilling a large amount of proficient behavioral data. In order to align input-output (IO) interface among multiple tasks and diverse agent morphologies while preserving essential 3D geometric relations, we introduce morphology-task graph, which treats observations, actions and goals/task in a unified graph representation. We also develop MxT-Bench for fast large-scale behavior generation, which supports procedural generation of diverse morphology-task combinations with a minimal blueprint and hardware-accelerated simulator. Through efficient representation and architecture selection on MxT-Bench, we find out that a morphology-task graph representation coupled with Transformer architecture improves the multi-task performances compared to other baselines including recent discrete tokenization, and provides better prior knowledge for zero-shot transfer or sample efficiency in downstream multi-task imitation learning. Our work suggests large diverse offline datasets, unified IO representation, and policy representation and architecture selection through supervised learning form a promising approach for studying and advancing morphology-task generalization.

Decoders built on Gaussian processes (GPs) are enticing due to the marginalisation over the non-linear function space. Such models (also known as GP-LVMs) are often expensive and notoriously difficult to train in practice, but can be scaled using variational inference and inducing points. In this paper, we revisit active set approximations. We develop a new stochastic estimate of the log-marginal likelihood based on recently discovered links to cross-validation, and propose a computationally efficient approximation thereof. We demonstrate that the resulting stochastic active sets (SAS) approximation significantly improves the robustness of GP decoder training while reducing computational cost. The SAS-GP obtains more structure in the latent space, scales to many datapoints and learns better representations than variational autoencoders, which is rarely the case for GP decoders.

We introduce new planning and reinforcement learning algorithms for discounted MDPs that utilize an approximate model of the environment to accelerate the convergence of the value function. Inspired by the splitting approach in numerical linear algebra, we introduce Operator Splitting Value Iteration (OS-VI) for both Policy Evaluation and Control problems. OS-VI achieves a much faster convergence rate when the model is accurate enough. We also introduce a sample-based version of the algorithm called OS-Dyna. Unlike the traditional Dyna architecture, OS-Dyna still converges to the correct value function in presence of model approximation error.

A remarkable recent paper by Rubinfeld and Vasilyan (2022) initiated the study of \emph{testable learning}, where the goal is to replace hard-to-verify distributional assumptions (such as Gaussianity) with efficiently testable ones and to require that the learner succeed whenever the unknown distribution passes the corresponding test. In this model, they gave an efficient algorithm for learning halfspaces under testable assumptions that are provably satisfied by Gaussians. In this paper we give a powerful new approach for developing algorithms for testable learning using tools from moment matching and metric distances in probability. We obtain efficient testable learners for any concept class that admits low-degree \emph{sandwiching polynomials}, capturing most important examples for which we have ordinary agnostic learners. We recover the results of Rubinfeld and Vasilyan as a corollary of our techniques while achieving improved, near-optimal sample complexity bounds for a broad range of concept classes and distributions. Surprisingly, we show that the information-theoretic sample complexity of testable learning is tightly characterized by the Rademacher complexity of the concept class, one of the most well-studied measures in statistical learning theory. In particular, uniform convergence is necessary and sufficient for testable learning. This leads to a fundamental separation from (ordinary) distribution-specific agnostic learning, where uniform convergence is sufficient but not necessary.

Hi, is it inappropriate to divide one task into subtasks and assign one agent to each subtasks? In case of peg-in-hole task, agent 1 can be responsible for approaching the robot to the hole. Once agent 1 has succeeded its task, agent 2 is activated for the peg task. What would be the cons of this approach? submitted by /u/Fun-Moose-3841 [link] [comments]  ( 23 min )

submitted by /u/gwern [link] [comments]  ( 60 min )

Arxiv OpenReview Abstract: Multi-agent reinforcement learning (MARL) has emerged as a useful approach to solving decentralised decision-making problems at scale. Research in the field has been growing steadily with many breakthrough algorithms proposed in recent years. In this work, we take a closer look at this rapid development with a focus on evaluation methodologies employed across a large body of research in cooperative MARL. By conducting a detailed meta-analysis of prior work, spanning 75 papers accepted for publication from 2016 to 2022, we bring to light worrying trends that put into question the true rate of progress. We further consider these trends in a wider context and take inspiration from single-agent RL literature on similar issues with recommendations that remain applicable to MARL. Combining these recommendations, with novel insights from our analysis, we propose a standardised performance evaluation protocol for cooperative MARL. We argue that such a standard protocol, if widely adopted, would greatly improve the validity and credibility of future research, make replication and reproducibility easier, as well as improve the ability of the field to accurately gauge the rate of progress over time by being able to make sound comparisons across different works. Finally, we release our meta-analysis data publicly on our project website for future research on evaluation accompanied by our open-source evaluation tools repository. submitted by /u/The_Human-Animal [link] [comments]  ( 65 min )

submitted by /u/HolioH [link] [comments]  ( 62 min )

If you remember I had 2 versions: LLPG (Life Long Policy Gradient) and LCPG (Life Controlled Policy Gradient). Both of them had to tackle saturation or "disconvergence" issue. In the last post I explained that, sampling Replay Buffer each 1-4 steps with large batch_size (64-128) will result in over-training, over-training will result in Replay Buffer being "homogeneous" or containing similar data, which will result in small gradient rise and finally in agent becomming a "brick" that produces negative rewards. Similar can happen to people who are not exploring world around them much. I ended up with LLPG but with some improvements: I had problems with smothing functions atanh, which was solved. LLPG is very naive and simple. Do DDPG update with decreasing frequency to prevent overestimati…  ( 64 min )

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AI is often perceived as a solution to the content writing crisis, but it’s not quite that simple. The technology has been around for years…  ( 9 min )

Artificial intelligence is a field that has grown from humble beginnings to become one of the top priorities for government, businesses…  ( 12 min )

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If we consider democracy as the act of “collectively deciding what’s best for us”, then it feels that we increasingly suck at working…  ( 23 min )

Introduction Continue reading on Becoming Human: Artificial Intelligence Magazine »  ( 10 min )

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The rise of data science has been fast and is a niche in huge demand. Therefore we have created the top 5 programming languages you should…  ( 7 min )

submitted by /u/OnlyProggingForFun [link] [comments]  ( 44 min )

I just found a new website where you can search various AI websites for your needs. You can try https://www.creaitives.com/ submitted by /u/Icetanium_ [link] [comments]  ( 46 min )

Hey guys! I’m not sure if you’ve also heard about this, but apparently Tencent has created over a thousand songs with generated voices and one of those tracks reached a hundred million views but I can’t seem to find it anywhere. The song title translated to English is just “today” but googling I can’t. Seem to find it anywhere. Do you guys have any links to it? It’s made using the lingyin ai, if that helps. submitted by /u/ChipsAhoiMcCoy [link] [comments]  ( 45 min )

Hi community, I am creating a research journal on the use of AI hiring, if you are somebody who’s had the experience of Artificial Intelligence during your hiring process or application, please feel free to fulfill my survey, thank you. submitted by /u/PurpleRelevant2146 [link] [comments]  ( 44 min )

submitted by /u/LordPewPew777 [link] [comments]  ( 44 min )

submitted by /u/vivid_confused_hill [link] [comments]  ( 51 min )

submitted by /u/bendee983 [link] [comments]  ( 23 min )

I love this field, and the breakneck speed at which we are developing applications taking advantage of AI models. But it's very hard to have a 30,000-foot view of this. I am trying to find a list, like those crowdsourced awesome lists in GitHub based on a subject, with "all" these implementations, but haven't found a centralized thing with that info yet. Examples: http://avatarai.me, https://www.summarize.tech, https://summarybox.com etc EDIT: I found this https://topstartups.io/?industries=Artificial%20Intelligence, but doesn't include small projects with potentially big impact like avatarai. Know more? submitted by /u/kmtrp [link] [comments]  ( 47 min )

submitted by /u/nalr00n [link] [comments]  ( 48 min )

this is supposed to be a beautiful landscape, you gave me "27" and a labyrinth. also does anyone know why this stuff happens https://preview.redd.it/1i8w8zk3an2a1.png?width=1910&format=png&auto=webp&s=5e8095f417897c2141499798afa195694581826e submitted by /u/Boss674 [link] [comments]  ( 44 min )

AI technology has become incrementally better since its inception. The quality of generative AI output has now come to the point that is meaningfully good for creators and businesses. For instance, before 2020, the majority of use cases of AI (or rather traditional AI) were in spam detection and translation. That has changed now. More and more creators and marketers are using generative AI outputs for writing emails and promotional blogs. For writing that requires more creativity, generative AI outputs are already being used as first drafts, which for the time being, require further refinement. Leading US-based VC firm Sequoia Capital estimates that as the generative AI models are further improved, the technology will be able to write final drafts as good as if not better than, professional writers by 2030. Some investors are likening generative AI to the early days of the web, seeing it as a transformative platform shift. US-based VC firm Sequoia sees generative AI as a technology that could generate trillions of dollars of economic value. As the demand for AI-powered content generation accelerates, generative AI start-ups have been garnering significant VC attention despite a broader slowdown in the pace of VC funding. Jasper, an Austin-based start-up, recently raised $125 million in Series A funding at a $1.5 billion valuation. London-based Stability AI also raised $101 million in an oversubscribed round, with investors like Coatue and Lightspeed Venture Partners participating. In May, Hugging Face also raised $100 million in a Series C round at a valuation of $2 billion. Read on... submitted by /u/Sienna_99 [link] [comments]  ( 48 min )

submitted by /u/prfitofthesngularity [link] [comments]  ( 47 min )

I've downloaded a lot of photos, but unfortunately, I feel like I've redownloaded some photos. Is there an AI that compares images and tells you how similar they are? ​ Edit: Like Google Lens, but locally. submitted by /u/Got70TypesOfMalware [link] [comments]  ( 46 min )

Hi all, I've created a chatbot with keras that can classify an input and correspond that to an output via intents. Do you know how I would be able to use some sort of goal attainment to drive the conversations towards a call to action? ​ Sorry if this isn't very specific, but I guess what I am asking is how to turn a chatbot from one that solely responds to one that prompts? submitted by /u/KBGTA97 [link] [comments]  ( 46 min )

I was looking at the BEIR dataset and the leaderboard has two different pages, one for dense IR and sparse IR. I am curious to know what the difference was, I googled around but couldn't find anything conclusive. Is there anyone that's familiar with the difference or anywhere where I can read about it? submitted by /u/itsyourboiirow [link] [comments]  ( 63 min )

I am currently working on a solution to a problem which hasn't been touched since 2014. Their model was evaluated using a script and dataset from SemEval 2007, which I am unable to find a copy of, and the project itself was deprecated several years ago. More recent works on a related task have been done on an updated dataset which is readily available, and I am able to report performance on it. My current plan is to make a note that the scripts and datasets used in previous works are no longer available, and that the performances are not directly comparable. The datasets should be somewhat comparable, but not being able to see the dataset itself makes it impossible to know that for sure. I'm wondering if reviewers will dislike this, even though it seems like the only option really available. What is the best way to compare the performance of my model with past works? submitted by /u/chad_as [link] [comments]  ( 64 min )

The proceedings of this year's Neurips are absent on its usual site. Has there been a change in policy ever since reviewing moved to OpenReview? On a different note, has anyone scraped the accepted paper PDFs? (I always find that quite easy to pdfgrep through specific terms or even references from whole set) submitted by /u/coredump3d [link] [comments]  ( 62 min )

I just published a blog post with many academic experiments on getting good results from Stable Diffusion 2.0, showing that negative prompts are the key with its new text encoder: https://minimaxir.com/2022/11/stable-diffusion-negative-prompt/ I also released Colab Notebooks to reproduce the workflow and use the negative embeddings yourself (links in comment due to antispam filters for too many URLs) submitted by /u/minimaxir [link] [comments]  ( 65 min )

For example, I might track model versions in a table like this: https://preview.redd.it/8piw0vzvaq2a1.png?width=2042&format=png&auto=webp&s=c0e04cb3816ec21f9510727c7a6beb96bf71ad39 Then suppose that after adding a few rows to this table, I realize there was an error up until this point. Sometimes the error is so significant that it fully invalidates all the previous data (e.g. I was calculating the AUC incorrectly) but other times the error is smallish and I want to note it and still keep my results (e.g. the features are built in a slightly different way than I thought). How do you keep organized tracking model versions? Although some errors are inevitable when starting a new project, any tips for actively discovering errors are also appreciated. submitted by /u/papayamaia [link] [comments]  ( 69 min )

As far as I understand the hyperparameter rho in RMSprop is equivalent to Adam's beta_2, neglecting the bias correction in Adam. In most implementations of RMSprop the hyperparameter rho is either 0.9 or 0.99 versus the default value of beta_2 which is 0.999. This results in a much much larger time constant for the smoothing in the case of the Adam optimizer. From my intuition I would assume it would be more sensible if the default values would be more or less the same, no? Or is there any particular reason the time constant in Adam is much larger? Any insights are much appreciated. submitted by /u/flxh13 [link] [comments]  ( 66 min )

Are there existing solutions/experiments to train LLMs collaboratively on distributed machines over the Internet? Something similar to the SETI@Home project. submitted by /u/dogonix [link] [comments]  ( 71 min )

NeurIPS: https://nips.cc/virtual/2022/poster/55764 Arxiv: https://arxiv.org/abs/2207.11554 Code and data: https://github.com/antoalli/3D_OS Abstract In recent years there has been significant progress in the field of 3D learning on classification, detection and segmentation problems. The vast majority of the existing studies focus on canonical closed-set conditions, neglecting the intrinsic open nature of the real-world. This limits the abilities of robots and autonomous systems involved in safety-critical applications that require managing novel and unknown signals. In this context exploiting 3D data can be a valuable asset since it provides rich information about the geometry of perceived objects and scenes. With this paper we provide the first broad study on 3D Open Set learning. We introduce 3DOS: a novel testbed for semantic novelty detection that considers several settings with increasing difficulties in terms of semantic (category) shift, and covers both in-domain (synthetic-to-synthetic, real-to-real) and cross-domain (synthetic-to-real) scenarios. Moreover, we investigate the related 2D Open Set literature to understand if and how its recent improvements are effective on 3D data. Our extensive benchmark positions several algorithms in the same coherent picture, revealing their strengths and limitations. The results of our analysis may serve as a reliable foothold for future tailored 3D Open Set methods. Schematic illustration of the OOD detection, semantic novelty detection and Open Set tasks on 3D data. 3D point clouds capture the complete object geometry, but miss the color, scale and object context which are naturally present in images. Things get worse at low resolution, where object details are lost. We propose 3DOS, the first benchmark for 3D Open Set learning, considering several settings with increasing levels of difficulty. It includes three main tracks: Synthetic, Real to Real, and Synthetic to Real. submitted by /u/antoalli [link] [comments]  ( 67 min )

Arxiv Abstract: Multi-agent reinforcement learning (MARL) has emerged as a useful approach to solving decentralised decision-making problems at scale. Research in the field has been growing steadily with many breakthrough algorithms proposed in recent years. In this work, we take a closer look at this rapid development with a focus on evaluation methodologies employed across a large body of research in cooperative MARL. By conducting a detailed meta-analysis of prior work, spanning 75 papers accepted for publication from 2016 to 2022, we bring to light worrying trends that put into question the true rate of progress. We further consider these trends in a wider context and take inspiration from single-agent RL literature on similar issues with recommendations that remain applicable to MARL. Combining these recommendations, with novel insights from our analysis, we propose a standardised performance evaluation protocol for cooperative MARL. We argue that such a standard protocol, if widely adopted, would greatly improve the validity and credibility of future research, make replication and reproducibility easier, as well as improve the ability of the field to accurately gauge the rate of progress over time by being able to make sound comparisons across different works. Finally, we release our meta-analysis data publicly on our project website for future research on evaluation accompanied by our open-source evaluation tools repository. submitted by /u/The_Human-Animal [link] [comments]  ( 64 min )

I've been reading philosophy since I was a child, and I've always imagined how awe-inspiring it would be to converse with philosophers from the past. Well, advances in deep learning and natural language processing have made this possible in some ways, and I've set a goal for myself to create a small project as proof of concept. This project is titled "Speaking with Plato - A Deep Learning Approach to Philosophy." Plato is a favorite philosopher of mine, and his philosophy is still very relevant today. Plato's Theory of Forms can be seen in the field of pattern recognition. Here we see issues when it comes to training AI algorithms that are easy for humans. When it comes to image pattern recognition, for example, we can easily train a child to recognize a tree. We can also train an AI to perform this task, but it will fail when presented with a fake tree. Two deep-learning models are used in the project. One is a Chatbot that simulates a conversation with Socrates, while the other is more creative and generates text in an attempt to imitate Plato. All of his work is also explored as part of an EDA. Here's a sneak peek: User: What is virtue? Socrates: A thing which is taught by a certain master, and which is rightly taught by him; and he who taught it, and has taught it also, is good in so far as it is taught? More can be read about it here: Speaking with Plato - A Deep Learning Approach to Philosophy | Data Spiral Code submitted by /u/Ingvariuss [link] [comments]  ( 73 min )

You can run Stable diffusion 1.4, 1.5 or 2 with zero changes to your code using the diffusers library. Check out the release notes https://github.com/huggingface/diffusers/releases/tag/v0.9.0 Everything is supported: attention optimizations, fp16, img2image, swappable schedulers,... As for SD 2, there is support for 768x768 resolution, 512x512, inpainting, and x4 Upscaler. Depth estimation will come soon. Thanks to the dozens of community contributors involved in this effort! Read the documentation here. submitted by /u/hackerllama [link] [comments]  ( 61 min )

…and why? So the science has moved on quite considerably since the linear methods of PCA and others; about 5±1 years back we had t-SNE and later on VAEs then UMAP. I appreciate that each of these methods is taking a subtly different (ok ok ok, sometimes its not that subtle) view of the problem, but I wonder what approaches are SOTA now? Where to now? submitted by /u/olmec-akeru [link] [comments]  ( 72 min )

Here are some tips! These are the tips that resonated with me the most during an interview with the top-tier Kaggle Grandmaster “bestfitting.” Good CV Post a good resume Learn from other competitions Read related papers Show your mental strength' In Kaggle, ipynb the preferred file format, code is shared through notebooks, and many people grow together and compete based on the EDA and baseline. Kaggle offers a unique culture of sharing and competition! https://www.kaggle.com/code/seriousran/just-speed-up-calculating-atomic-distances However, depending on the nature of the Kaggle competition, you may face the common situation of not learning enough with only the GPU/TPU capacity provided by Kaggle for a one-week window. After the one-week period, you have to work in your local environment. When this happens to me, I always use JupyterLab. In Kaggle, massive ipynb files are widely shared. This is because it’s easier to work on and view them in a web format. It seems to be a part of the Kaggle culture. If you’re downloading ipynb files and using them in your local environment, Jupyter Extension Link can help. It will help you learn and experiment more efficiently. First of all, you can use Link to organize long code into pipelines. Check out the sample code at the link below. https://www.kaggle.com/code/vslaykovsky/train-pytorch-effnetv2-baseline-cv-0-49 If you look at the sample code here, you’ll notice that the code has so many lines. (Of course, the code also includes simple sample data tests or visualizations for training.) If you create pipelines through Link, this code can be organized like below. Can you see the overall structure of the code? Rather than just looking at the lengthy code, it’s so much easier to understand if you can read the code along with these pipelines. See full post https://medium.com/makinarocks/how-a-kaggle-master-uses-link-jupyter-notebook-lab-extension-7847ff0da954 submitted by /u/MakinaRocks [link] [comments]  ( 66 min )

In 2019, Amazon co-founded the climate pledge. The pledge’s goal is to achieve net zero carbon by 2040. This is 10 years earlier than the Paris agreement outlines. Companies who sign up are committed to regular reporting, carbon elimination, and credible offsets. At the time of this writing, 377 companies have signed the climate pledge, […]  ( 10 min )

Amazon Kendra is an intelligent search service powered by machine learning (ML). Kendra reimagines enterprise search for your websites and applications so your employees and customers can easily find the content they’re looking for, even when it’s scattered across multiple locations and content repositories within your organization. Amazon Kendra users can now quickly find the […]  ( 5 min )

Amazon CodeWhisperer is a machine learning (ML)-powered service that helps improve developer productivity by generating code recommendations based on developers’ prior code and comments. Today, we are excited to announce that AWS administrators can now enable CodeWhisperer for their organization with single sign-in (SSO) authentication. Administrators can easily integrate CodeWhisperer with their existing workforce identity […]  ( 5 min )

Posted by Cat Armato, Program Manager, Google This week marks the beginning of the 36th annual Conference on Neural Information Processing Systems (NeurIPS 2022), the biggest machine learning conference of the year, which is being held in New Orleans, LA. NeurIPS 2022 will be held in person with additional options for virtual attendees, and includes invited talks, demonstrations and presentations of some of the latest in machine learning research. This year, NeurIPS is also offering a new track, called Spotlight Papers, which will provide opportunities to highlight papers presented in prestigious journals that would otherwise not have been eligible for submission. Google is proud to be a Diamond level sponsor of NeurIPS this year and will have a significant presence year with more…  ( 104 min )

Synthetic data is used more and more to augment real-life datasets. It enriches them and allow black-box systems to correctly classify observations or predict values that are well outside of training and validation sets. In addition, it helps understand decisions from obscure systems such as deep neural networks. Thus, it contributes to the development of… Read More »New Book: Synthetic Data – Generation and Applications The post New Book: Synthetic Data – Generation and Applications appeared first on Data Science Central.  ( 20 min )

Conformal maps transform one region into another while preserving angles. You might solve a PDE, for example, by mapping it to a standard region, solving it there, then mapping the solution back to the original region. Some tasks are easier to do in a square and others in a disk, so it’s clearly useful to […] Conformal map between square and disk first appeared on John D. Cook.  ( 5 min )

Two NVIDIA Research papers — one exploring diffusion-based generative AI models and another on training generalist AI agents — have been honored with NeurIPS 2022 Awards for their contributions to the field of AI and machine learning. These are among more than 60+ talks, posters and workshops with NVIDIA authors being presented at the NeurIPs Read article > The post NVIDIA Wins NeurIPS Awards for Research on Generative AI, Generalist AI Agents appeared first on NVIDIA Blog.  ( 6 min )

Delivering AI-accelerated healthcare at scale will take thousands of neural networks working together to cover the breadth of human physiology, diseases and even hospital operations — a significant challenge in today’s smart hospital environment. MONAI, an open-source medical-imaging AI framework with more than 650,000 downloads, accelerated by NVIDIA, is making it easier to integrate these Read article > The post MAP Once, Run Anywhere: MONAI Introduces Framework for Deploying Medical Imaging AI Apps appeared first on NVIDIA Blog.  ( 6 min )

A consortium of 10 National Health Service Trusts — the publicly funded healthcare system in England — is now deploying the MONAI-based AIDE platform across four of its hospitals, providing AI-enabled disease-detection tools to healthcare professionals serving 5 million patients a year. AIDE, short for AI Deployment Engine, is expected to be rolled out next Read article > The post NVIDIA Partners With NHS Trusts to Deploy AI Platform in UK Hospitals appeared first on NVIDIA Blog.  ( 5 min )

I want to start a project in my own time where I read stock market data and make predictions to day trade. I understand that RNNs and similar models like LSTMs are used frequently for this type of thing, but do you know if more advanced models utilize different or more strategies than just this? Or are there any good resources i could look at to help me with this problem? Thank you! submitted by /u/PleaseShowerUSmell [link] [comments]  ( 50 min )

This post will present the conformal map between the interior of an ellipse and the unit disk. Given an ellipse centered at the origin with semi-major axis a and semi-minor axis b. Will will assume without loss of generality that a² – b² = 1 and so the foci are at ±1. Hermann Schwarz published […] Conformal map of ellipse interior to a disk first appeared on John D. Cook.  ( 5 min )

I was wondering if HER is technically a self-supervised method or could at least be compared. I was thinking this as it augments existing trajectories in memory for learning as a sort of preprocessing before using in the learning step. Thanks for the help submitted by /u/SuperDuperDooken [link] [comments]  ( 55 min )

submitted by /u/ai-lover [link] [comments]  ( 59 min )

Hello folks, i am trying to run the DDPG algorithm on the portfolio optimization task - a [0-1] action space where initial actions are (0.25,0.25,0.25,0.25) and sum of actions are 1. Unfortunately, whatever i select for action_noise (Ornstein-Uhlenbeck, Gaussian, etc) the actions the DDPG plays is always doing something like either [1,0,1,0] , [1,0,0,0], [1,1,1,0] etc. so it never does fractional actions during training/validation/testing. It simply does not explore enough to converge. Can someone help giving ideas how i can improve? submitted by /u/GarantBM [link] [comments]  ( 55 min )

submitted by /u/EducationalCicada [link] [comments]  ( 55 min )

Hi all, when training a Deep Q-learning, should the agent learn after each batch or omit some batches? If he omits some batches, how does he determine that? ​ Thanks all! submitted by /u/arachnarus96 [link] [comments]  ( 55 min )

Hello, newbies to RL! So I’m trying to implement a hockey game with reinforcement learning; and currently I have control of the hockey stick, that can move up and down, accelerate or slow down. I’m creating a simply linear neural network that take the location of the puck and hockey stick as input and outputting 1/4 choices (ex. Move up + slow down). However, what would be my loss function? Thank you! submitted by /u/Certain_Fish971 [link] [comments]  ( 53 min )

Looking at humans as reinforcement learning agents, what do you think about the idea that some addiction is simply caused by our Gamma values being too low? My gamma value was once low as hell, but now it is better. How can we increase people’s gamma? Also I feel the collective human “hive mind” gamma value is very low as well. See global warming. Sometimes though you need a low gamma. Like on a Friday night when you are trying to ball out and celebrate. submitted by /u/Conaman12 [link] [comments]  ( 55 min )

I have a project in which I am to do REINFORCE with Baseline for pacman domain. However, I am facing a few issues with the implementation that is causing the agent to not learn. My reference for the algos has been Barton and Sutton's book. My domain is Pacman domain implemented by UCB's CS188 course. For those who haven't previously worked on UCB's CS 188 course, reference for the code and the implementations (ex: Q learning agent to learn Pacman) can be found here: https://github.com/philipp-kurz/CS188_P3_Reinforcement_Learning Algo: REINFORCE with BASELINE Problem: I am using linear function approximation for the implementation which involves 2 key places where I might be wrong: 1. Parameter space: I have used the same parameter space as the Approximate Q learning agent's which can be…  ( 58 min )

Paper: https://arxiv.org/abs/2211.13184 Github: https://github.com/microsoft/torchscale Abstract: Large Transformers have achieved state-of-the-art performance across many tasks. Most open-source libraries on scaling Transformers focus on improving training or inference with better parallelization. In this work, we present TorchScale, an open-source toolkit that allows researchers and developers to scale up Transformers efficiently and effectively. TorchScale has the implementation of several modeling techniques, which can improve modeling generality and capability, as well as training stability and efficiency. Experimental results on language modeling and neural machine translation demonstrate that TorchScale can successfully scale Transformers to different sizes without tears. https://preview.redd.it/dnmy0u1ynk2a1.jpg?width=1123&format=pjpg&auto=webp&s=42df7668ce77abf59c0f0f768dc39aeb310f854b https://preview.redd.it/z5jdnq1ynk2a1.jpg?width=1107&format=pjpg&auto=webp&s=aa0a1308bd18896a7fd6b9c4ba889aaee45a4f65 https://preview.redd.it/rg17rr1ynk2a1.jpg?width=1349&format=pjpg&auto=webp&s=85aaf2cbd084ca449c5ea321e8e17f3a823701e3 submitted by /u/Singularian2501 [link] [comments]  ( 65 min )

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Hey, i am very new to the topic AI, and I saw in python a function which used two arguments: loss and optimizer. So what is the difference here? Does loss simply calculate how big the difference is between the desired result and the generated result? And based on these loss values, Optimizer then optimizes how the parameters of the AI ​​should be changed? Happy for any help! submitted by /u/Lana8888 [link] [comments]  ( 51 min )

I have recently discovered the Android app "chai" which allows you to train and ai. But I don't quite know how it works. People have taught this app to stick pretty close to role place scenarios. I am interested in creating a bot on there and I don't really know how to go about teaching it. Do I just talk to it how I want it to talk? Do I need to put certain parameters in the third box upon creating the bot? Some guidance would be very much appreciated from someone who has worked with chai before. submitted by /u/Heil_Hipster [link] [comments]  ( 44 min )

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Filmmaker and AI enthusiast here. I’m asking any people out there who are smarter than me, if you can imagine AI influencing cinema in the future. It’s influencing animation as we speak - so how about cinema? submitted by /u/Embarrassed-Error182 [link] [comments]  ( 45 min )

2 days left to save more than 60% on Topaz's best photo & video editing bundle: ​ Everything Bundle: $279 Image Bundle: $159 Video AI: $159 DeNoise AI: $59.99 Gigapixel AI: $74.99 Sharpen AI: $59.99 Black Friday submitted by /u/cherishjoo [link] [comments]  ( 45 min )

Please answer my few questions about neural networks ​ *** Note: I am not doing this for homework. I have just started transfer learning and I have a weakness in coding these questions that are ready in my mind. **\* ​ Please guide me with actual code. ​ 1 ) How can I download a pre-trained deep neural network (e.g. Residual neural network) without its weights, i.e. just download the architecture of the neural network without having to build it from scratch and update its weights with new data and outputs teach new ? ​ 2 ) How can I update part of the weights of a number of layers and leave some other weights intact ? (I mean updating part of the weights of the intermediate layers of the pre-trained deep neural network to my liking.) ​ 3 ) How can I remove some of the layers in the middle of the pre-trained deep neural network, which includes, for example, convolutional layers and fully connected layers from the network ? ​ 4 ) If I want to increase or decrease the number of neurons in fully connected layers, how can this be done ? ​ 5 ) How can I use the layers and weights of a pre-trained deep neural network that has only learned edges in the initial layers for images related to medical problems ? submitted by /u/numbers222ddd [link] [comments]  ( 48 min )

Hello everyone. I am Electronics Engineering master student. This year I am taking Neural Networks course. For labs we are using Jupyter Notebook and I am using Macbook Pro M1 2020. When I try to import import tensorflow as tf from cnn_utils import * I am getting an error which is telling 'The kernel appears to have died '. Recently I started to use Google Colabs but I am looking for an another solution. I would be gretuful for any kinda help. Thank you in advance. submitted by /u/Ill-Poet5783 [link] [comments]  ( 47 min )

I am looking for a program that can generate images based on other images I feed it but it should work offline since I dont want to upload images submitted by /u/Tex-the-Dragon [link] [comments]  ( 51 min )

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Looking for an AI Chatbot to interview for Documentary I'm creating a documentary about AI and its future. I'm looking for a good AI that'll give me responses with enough depth, and hopefully aren't a single sentence. I'll be asking it about its existence so I want it to answer questions like "What do you see?", and "Who are you?" with enough detail to be interesting to a viewer. Hopefully there's one that can do all this and has a face and voice but that's not too important. ​ If anyone has any ideas let me know. submitted by /u/roblox22y [link] [comments]  ( 46 min )

https://www.youtube.com/watch?v=t6RKE2f6BOc submitted by /u/thosiris [link] [comments]  ( 45 min )

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Hi, someone here has a reccomanditon for a software that will help me debug, monitor and explain my deep neural networks? submitted by /u/Extension_Comedian88 [link] [comments]  ( 45 min )

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Attempts at realizing policies that were trained in software, and applying to real-world situations inherit sim-2-real gap: 'all variables not modelled or accounted for' driven side effects. Meanwhile transformers are getting traction in RL for their ability to remember and more accurately see the "future". Treated as the same thing: a matter of imputing variables, Transformers should be able to help reduce sim-2-real (in effect acting as an oracle). What do you think? submitted by /u/XecutionStyle [link] [comments]  ( 60 min )

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​ https://preview.redd.it/al3i2te52c2a1.png?width=1280&format=png&auto=webp&s=7cfb74d610d35251643e97bbf01ce123de2b4813 Hi, everyone! I invite you to read a post / tutorial about metric learning. It includes the theory overview, practical examples with illustrations and code snippets written in OpenMetricLearning (a new PyTroch-based library). As a bonus, you will learn how to train a model which performs on a SotA level using a few simple heuristics. Welcome to read! submitted by /u/Zestyclose-Check-751 [link] [comments]  ( 66 min )

Paper https://arxiv.org/abs/2209.08206 Code https://github.com/kakaobrain/stg Abstract Natural language modeling with limited training data is a challenging problem, and many algorithms make use of large-scale pretrained language models (PLMs) for this due to its great generalization ability. Among them, additive learning that incorporates a task-specific adapter on top of the fixed large-scale PLM has been popularly used in the few-shot setting. However, this added adapter is still easy to disregard the knowledge of the PLM especially for few-shot natural language generation (NLG) since an entire sequence is usually generated by only the newly trained adapter. Therefore, in this work, we develop a novel additive learning algorithm based on reinforcement learning (RL) that selectively outputs language tokens between the task-general PLM and the task-specific adapter during both training and inference. This output token selection over the two generators allows the adapter to take into account solely the task-relevant parts in sequence generation, and therefore makes it more robust to overfitting as well as more stable in RL training. In addition, to obtain the complementary adapter from the PLM for each few-shot task, we exploit a separate selecting module that is also simultaneously trained using RL. Experimental results on various few-shot NLG tasks including question answering, data-to-text generation and text summarization demonstrate that the proposed selective token generation significantly outperforms the previous additive learning algorithms based on the PLMs. submitted by /u/Usual-Shopping-9638 [link] [comments]  ( 66 min )

Hi folks, I know this question is kept being asked for many times, but as time change, and Pytorch is getting more favorable everywhere, I want to bring this one on the table again. Assuming that you are building AI products (deployment is a must!), do you prefer TensorFlow or Pytorch in your codebase and why? For me (and most likely a lot of people out there), I prefer training and developing my models in Pytorch (ease of debugging and customizing). But if that's a case, is there any option to deploy the .pt models? Even if we need .tflite for mobile deployment? Thanks in advance! submitted by /u/CodaholicCorgi [link] [comments]  ( 66 min )

An outcome cannot be highly correlated with a large number of independent predictors. This observation has been called the piranha problem. Predictors are compared to piranha fish. If you have a lot of big piranhas in a small pond, they start eating each other. If you have a lot of strong predictors, they predict each […] Big correlations and big interactions first appeared on John D. Cook.  ( 4 min )

An earlier post looked at the nine-point circle of a triangle, a circle passing through nine special points associated with a triangle. Feuerbach’s theorem that says the nine point circle of a triangle is tangent to the incircle and three excircles of the same triangle. The incircle of a triangle is the largest circle that […] Incircle and excircles first appeared on John D. Cook.  ( 4 min )

I was listening to the latest episode of The History of English podcast and the host talked about rules for when final letters are doubled in English. One of the things he said was that if a consonant is doubled at the end of a word, it’s probably S, L, F, or Z. I tested […] Double final consonants first appeared on John D. Cook.  ( 5 min )

submitted by /u/gwern [link] [comments]  ( 60 min )

I'm looking for upcoming RL competitions, and hopefully some blog/site that updates this information regularly. I used to follow https://github.com/seungjaeryanlee/awesome-rl-competitions but it hasn't been updated in a while. Thanks in advance! submitted by /u/mrscabbycreature [link] [comments]  ( 58 min )

As a lot of you guys probably saw, the Farama Foundation launched about a month (https://farama.org/Announcing-The-Farama-Foundation), and we're the maintainers of PettingZoo, Gym, and a lot of the most used reinforcement learning environments. Right now we're in talks with a lot of large FAANG companies to raise money to have full time maintainers. ​ It's going quite well, but the biggest selling point to large tech companies has been that our work will save their researchers a bunch of time, and therefor save them money. Quantifying how much time would be really helpful for us, so I've put together a survey to try to figure out how much time per paper all of our work on tools would actually save researchers. ​ If people who are actively involved in RL research on at least some level would be willing to fill this out, it'd genuinely help a ton and will take you less than 2 minutes: https://forms.gle/YM7FJ4rgS2PgoZyG6 submitted by /u/jkterry1 [link] [comments]  ( 58 min )

Hey All! I was hoping to get your advice on this post I made on SO: https://stackoverflow.com/questions/74541685/training-ppo-from-stable-baselines3-on-a-grid-world-that-randomizes Should I re-think how the agent is presented with the state of the environment? I was thinking that perhaps I should make the agent just able to see the grid of blocks directly around it (3x3 or 4x4) and as another input include the angular direction of where the target on the grid is located (while still giving the agent reward for getting closer to the target). Thoughts? I'm still puzzled why PPO can train on those Atari games while it cannot learn a simple 36x36 image/grid world that randomizes but is otherwise relatively simple. Any advice is much appreciated! submitted by /u/petecious [link] [comments]  ( 56 min )

​ https://i.redd.it/knuawausv22a1.gif ​ https://github.com/helpingstar/gym-woodoku https://youtu.be/CgG_6XpsrqU You can refer to the video above for the actual gameplay video (not my video). ​ observation_space is a multibinary([15, 15, 1]) combining the board and 3 blocks. You can also receive the 4 elements separately as a dict by modifying the `obs_mode` parameter. The action is to select one of the three blocks and place it on the board, which is 283. In case of meaningless action, return 0 as reward and return the previous state as well. If you edit the `gym_woodoku/envs/blocks.py` file, you can put the puzzle you want and apply it freely. Since it inherits the gym environment, you can use various functions related to gym. Detailed explanation is written in the README. submitted by /u/iamhelpingstar [link] [comments]  ( 59 min )

I´m currently implementing an IRL project consisting in an GAIL agent that should "learn" from my human "expert demonstrations". As of today, the agent/model/policy has failed to converge to my demonstrations, and not improving at all. So my doubts are: The trajectories might not be properly generated (I used a custom wrapper for the retro gym that allows the env to receive human input: Interactive Gym-Retro), so the GAIL agent is just following garbage. Have anybody used an existing tool, or implemented one to get/collect expert trajectories from Gym-Retro NES Env? I'm using the library called Imitation that allow you to integrate Stable Baselines3 agents. This library has a data structure called "Trajectory" which can be fed to the models as expert demos, and at this point I'm able to create them. ​ PS: My hypothesis is that a PPO agent is unable to learn a policy to beat the level "King Hippo" from the NES classic "Punch-Out!" game, and is just able to beat after getting exposed to expert trajectories form a human expert (me). submitted by /u/aletelec0m [link] [comments]  ( 59 min )

https://youtu.be/ciNMc0Czmfc A team from Meta AI has developed Cicero, an agent that can play the game Diplomacy, in which players have to communicate via chat messages to coordinate and plan into the future. ​ OUTLINE: 0:00 - Introduction 9:50 - AI in cooperation games 13:50 - Cicero agent overview 25:00 - A controllable dialogue model 36:50 - Dialogue-conditional strategic planning 49:00 - Message filtering 53:45 - Cicero's play against humans 55:15 - More examples & discussion ​ Homepage: https://ai.facebook.com/research/cicero/ Code: https://github.com/facebookresearch/diplomacy_cicero Blog: https://ai.facebook.com/blog/cicero-ai-negotiates-persuades-and-cooperates-with-people/ Paper: https://www.science.org/doi/10.1126/science.ade9097 ​ Abstract: Despite much progre…  ( 66 min )

Hi all, This is a new library combining large language models with evolutionary algorithms for code synthesis, by CarperAI. Github: https://github.com/CarperAI/OpenELM Huggingface model: https://huggingface.co/CarperAI/diff-codegen-350m Blog post: https://carper.ai/openelm-release/ ELM stands for Evolution Through Large Models, a technique from a recent OpenAI paper demonstrating that large language models can act as intelligent mutation operators in an evolutionary algorithm, enabling diverse and high quality generation of code in domains not seen in the language model’s training set. The library contains an implementation of MAP-Elites with a language model as the mutatation operator, and the Sodaracer 2D environment as a testbed where you can evolve robots with a language model. In addition, there is also an an open-source diff model fine-tuned on GitHub diffs from Salesforce’ CodeGen 350M code synthesis model, under an MIT license. This diff model will let you more easily generate intelligent code suggestions in ELM. submitted by /u/herbiebradley [link] [comments]  ( 64 min )

Hello, I would like to better understand the scope of Neurips Datasets and Benchmark track. What qualifies as a benchmark, exactly ? For example, imagine there is a small community that keeps publishing super theoretical papers for 20 years but provide very poor empirical evaluation of their algorithms. Is a paper that provides an empirical evaluation of these algorithms in diverse scenarios considered a benchmark ? For example An Empirical Evaluation of Thompson Sampling Algorithms, Neurips 2011. Or, is a benchmark a method to allow evaluation of certain algorithms? For example, Reliable Evaluation of Adversarial Robustness with an Ensemble of Diverse Parameter-free Attacks, ICML 2020 Or would both qualify in the new datasets and benchmarks track? Thanks for clarifying! submitted by /u/ArmandDerech [link] [comments]  ( 23 min )

I like the shap library, but it looks like it isn’t being actively maintained any more. The last merged PR was back in June and the issue tracker is inundated with issues that haven’t received any responses. It’s a bit buggy in places and it generates a ton of warning messages. Does anyone have any alternative recommendations? submitted by /u/deepestdescent [link] [comments]  ( 67 min )

Pheon Inc. designed the technology allowing to digitally "clone" people and create their Digital Twins. Based on a set of videos, a short bio and a detailed questionnaire the team can create a realistic video-based AI-powered chatbot that looks, sounds and communicates like its human "prototype". The technology consists of three major components: a conversational algorithm, a lipsync and a voice modulation system. A conversational model is based on an NLP pipeline with GPT in its core. One of Pheon's engineers volunteered to be the first model, but as the AI training dataset grew bigger, the effort for creating new chatbots was minimized. Now, to create a "digital twin" for someone all that's required is their consent. submitted by /u/Either_Sea_8392 [link] [comments]  ( 63 min )

​ https://preview.redd.it/p7hlm9i3i42a1.png?width=1632&format=png&auto=webp&s=3ca84b1e45b077e3c4ff38506635a1f01463a14a Hi there, it's Lewis here from Hugging Face 👋 Our diffusion models class with Jonathan Whitaker kicks-off next week, and to celebrate we're hosting a live event of talks and discussion with the creators of Stable Diffusion and folks from Stability AI, Meta, and Lambda Labs 🧨! If you'd like to take part, you can sign up here: https://huggingface.co/blog/diffusion-models-event submitted by /u/lewtun [link] [comments]  ( 65 min )

ProSelfLC: Progressive Self Label Correction Towards A Low-Temperature Entropy State arXiv: https://arxiv.org/abs/2207.00118 Code: https://github.com/XinshaoAmosWang/DeepCriticalLearning ​ ​ https://preview.redd.it/0vtst8xkk22a1.png?width=1181&format=png&auto=webp&s=a07a443bb633e7efacd4c41d7941ec6591e46d25 ​ https://preview.redd.it/jtc5n5jlk22a1.png?width=1195&format=png&auto=webp&s=2643109cd59c2b130bbd3f8d8aaeb7054a68ec3e ​ https://preview.redd.it/3c8c9i7mk22a1.png?width=1239&format=png&auto=webp&s=c670ab84fe973ae34326b8cd86652c25ebaadc50 submitted by /u/XinshaoWang [link] [comments]  ( 63 min )

Paper: https://arxiv.org/abs/2202.06671 Code: https://github.com/malteos/scincl Model: https://huggingface.co/malteos/scincl Abstract: Learning scientific document representations can be substantially improved through contrastive learning objectives, where the challenge lies in creating positive and negative training samples that encode the desired similarity semantics. Prior work relies on discrete citation relations to generate contrast samples. However, discrete citations enforce a hard cut-off to similarity. This is counter-intuitive to similarity-based learning, and ignores that scientific papers can be very similar despite lacking a direct citation - a core problem of finding related research. Instead, we use controlled nearest neighbor sampling over citation graph embeddings for contrastive learning. This control allows us to learn continuous similarity, to sample hard-to-learn negatives and positives, and also to avoid collisions between negative and positive samples by controlling the sampling margin between them. The resulting method SciNCL outperforms the state-of-the-art on the SciDocs benchmark. Furthermore, we demonstrate that it can train (or tune) models sample-efficiently, and that it can be combined with recent training-efficient methods. Perhaps surprisingly, even training a general-domain language model this way outperforms baselines pretrained in-domain. submitted by /u/muwnd [link] [comments]  ( 61 min )

I am going to NeurIPS next week. This is the first time I am going to an AI conference, and the first time I am going to a very large conference. I did my PhD in pure math, so I have been to plenty of academic conferences, but they were all smaller (less than 100 people) events. I am presenting a workshop paper and am going alone from Europe. Anyone have any general tips when going to a large AI conference for the first time? It would be nice to find some people to have lunch with, or eat dinner with, because in my experience you learn at least as much by talking to people as you do from academic presentations. So I am curious on how the social interactions at these conferences are: do people hang out mostly with their own crowds, or is it easy to get in touch with new people? I am also vaguely looking for interesting people and places where I might go on a research stay (paid by my job) some time in the future, so that is another motivation for meeting people. submitted by /u/innocentgilbertsmith [link] [comments]  ( 65 min )

Our company, Pheon, designed the technology allowing to digitally "clone" people and create their so called digital twins. Based on a set of videos, a short bio and a detailed questionnaire we can create a realistic video-based AI-powered chatbot that looks, sounds and, most importantly, communicates just like its human "prototype". The technology consists of three major components: a conversational algorithm, a lipsync and a voice modulation system. A conversational model is based on an NLP pipeline that we created and has GPT in its core plus our proprietary add-ons. One of our engineers volunteered to be our first model, but as the AI training dataset grew bigger, we managed to minimize the effort for creating new chatbots. Now, creating a "digital twin" for practically anyone is a matter of minutes. submitted by /u/Either_Sea_8392 [link] [comments]  ( 46 min )

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Hey all, You might remember the AI website builder my company, Durable, launched a few months back (worth a try if you haven't yet given it a go, we made a handful of updates which I'll post below, based on feedback in this subreddit). We're doing a lot with AI, and the latest is a business name generator. If you've got a second, give it a go and let me know what you think (and share any weird/good ideas it comes up with). My favourite so far: Trustworthy Locksmith (I certainly hope so!) The Hoarder Helpers (cleaning business) The Spiffy Headlight (car detailing business) This is V1, so lots to improve over time. Appreciate it, and hope someone finds it helpful! submitted by /u/joeyjojo6161 [link] [comments]  ( 54 min )

Happy Holidays Everyone! We are students trying to do some research regarding the data science/ML process. We appreciate your time in taking our survey. Thank you once again for your time! Survey: https://forms.gle/maqanFWi4zRWmE359 submitted by /u/Y0DO [link] [comments]  ( 46 min )

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Weird question, hoping someone on here knows. I used to follow a sub that was dedicated to just posting photos of AI generated people. I can’t find it anymore. Does anybody know what is it? submitted by /u/Platypus_venom666 [link] [comments]  ( 45 min )

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Despite being a general-purpose language, Python is considered the best programming language for the most complex technologies like Artificial Intelligence. Read more: https://www.artiba.org/blog/your-perfect-guide-to-understand-the-role-of-python-in-artificial-intelligence submitted by /u/Emily-joe [link] [comments]  ( 58 min )

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Often I'll see posts about having an AI listen to large amounts of hours of a specific artist and then generate a song based off of that. I was wondering if this is something anyone knows of or how to do that would be willing to link me to some resources to learn? None of my searches are turning up anything that allows me to have it listen to the artist first, nor produce anything even remotely close to these examples I've seen. submitted by /u/Squttnbear [link] [comments]  ( 46 min )

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Hello everyone. I am trying to train a neural network with a very large dataset and as a result, when trying to import the entire dataset, the memory crashes and the kernel restarts. Therefore, I have split the dataset into smaller, more manageable datasets. I think one way to use the entire dataset would be to train the NN for a set number of epochs using the first sub-dataset, save the model, continue training it for the same number of epochs using the second sub-dataset, and so on until it reaches a plateau on the evaluation error (unless overfitting occurs). What do you guys think? Have you maybe dealt with the same problem in a different way? submitted by /u/varanian [link] [comments]  ( 52 min )

Machine learning (ML) models are taking the world by storm. Their performance relies on using the right training data and choosing the right model and algorithm. But it doesn’t end here. Typically, algorithms defer some design decisions to the ML practitioner to adopt for their specific data and task. These deferred design decisions manifest themselves […]  ( 17 min )

I haven’t been able to find technical details of the orbit of Artemis I, and some of what I’ve found has been contradictory, but here are some back-of-the-envelope calculations based on what I’ve pieced together. If someone sends me better information I can update this post. Artemis is in a highly eccentric orbit around the […] Artemis lunar orbit first appeared on John D. Cook.  ( 6 min )

Feuerbach’s theorem, also known as the nine-point circle theorem, says that for any triangle, there is a circle passing through the following nine points: The midpoints of each side. The foot of the altitude to each side. The midpoint between each vertex and the orthocenter. The orthocenter is the place where the three altitudes intersect. […] Feuerbach’s nine-point circle theorem first appeared on John D. Cook.  ( 4 min )

In the framework of online convex optimization, most iterative algorithms require the computation of projections onto convex sets, which can be computationally expensive. To tackle this problem HK12 proposed the study of projection-free methods that replace projections with less expensive computations. The most common approach is based on the Frank-Wolfe method, that uses linear optimization computation in lieu of projections. Recent work by GK22 gave sublinear adaptive regret guarantees with projection free algorithms based on the Frank Wolfe approach. In this work we give projection-free algorithms that are based on a different technique, inspired by Mhammedi22, that replaces projections by set-membership computations. We propose a simple lazy gradient-based algorithm with a Minkowski regularization that attains near-optimal adaptive regret bounds. For general convex loss functions we improve previous adaptive regret bounds from $O(T^{3/4})$ to $O(\sqrt{T})$, and further to tight interval dependent bound $\tilde{O}(\sqrt{I})$ where $I$ denotes the interval length. For strongly convex functions we obtain the first poly-logarithmic adaptive regret bounds using a projection-free algorithm.  ( 2 min )

The availability of compute and data to train larger and larger language models increases the demand for robust methods of benchmarking the true progress of LM training. Recent years witnessed significant progress in standardized benchmarking for English. Benchmarks such as GLUE, SuperGLUE, or KILT have become de facto standard tools to compare large language models. Following the trend to replicate GLUE for other languages, the KLEJ benchmark has been released for Polish. In this paper, we evaluate the progress in benchmarking for low-resourced languages. We note that only a handful of languages have such comprehensive benchmarks. We also note the gap in the number of tasks being evaluated by benchmarks for resource-rich English/Chinese and the rest of the world. In this paper, we introduce LEPISZCZE (the Polish word for glew, the Middle English predecessor of glue), a new, comprehensive benchmark for Polish NLP with a large variety of tasks and high-quality operationalization of the benchmark. We design LEPISZCZE with flexibility in mind. Including new models, datasets, and tasks is as simple as possible while still offering data versioning and model tracking. In the first run of the benchmark, we test 13 experiments (task and dataset pairs) based on the five most recent LMs for Polish. We use five datasets from the Polish benchmark and add eight novel datasets. As the paper's main contribution, apart from LEPISZCZE, we provide insights and experiences learned while creating the benchmark for Polish as the blueprint to design similar benchmarks for other low-resourced languages.  ( 3 min )

We propose a metric learning paradigm, Regression-based Elastic Metric Learning (REML), which optimizes the elastic metric for geodesic regression on the manifold of discrete curves. Geodesic regression is most accurate when the chosen metric models the data trajectory close to a geodesic on the discrete curve manifold. When tested on cell shape trajectories, regression with REML's learned metric has better predictive power than with the conventionally used square-root-velocity (SRV) metric.

This paper introduces a physics-informed machine learning approach for pathloss prediction. This is achieved by including in the training phase simultaneously (i) physical dependencies between spatial loss field and (ii) measured pathloss values in the field. It is shown that the solution to a proposed learning problem improves generalization and prediction quality with a small number of neural network layers and parameters. The latter leads to fast inference times which are favorable for downstream tasks such as localization. Moreover, the physics-informed formulation allows training and prediction with small amount of training data which makes it appealing for a wide range of practical pathloss prediction scenarios.

Vision-language modeling has enabled open-vocabulary tasks where predictions can be queried using any text prompt in a zero-shot manner. Existing open-vocabulary tasks focus on object classes, whereas research on object attributes is limited due to the lack of a reliable attribute-focused evaluation benchmark. This paper introduces the Open-Vocabulary Attribute Detection (OVAD) task and the corresponding OVAD benchmark. The objective of the novel task and benchmark is to probe object-level attribute information learned by vision-language models. To this end, we created a clean and densely annotated test set covering 117 attribute classes on the 80 object classes of MS COCO. It includes positive and negative annotations, which enables open-vocabulary evaluation. Overall, the benchmark consists of 1.4 million annotations. For reference, we provide a first baseline method for open-vocabulary attribute detection. Moreover, we demonstrate the benchmark's value by studying the attribute detection performance of several foundation models. Project page https://ovad-benchmark.github.io/

Federated Learning enables multiple data centers to train a central model collaboratively without exposing any confidential data. Even though deterministic models are capable of performing high prediction accuracy, their lack of calibration and capability to quantify uncertainty is problematic for safety-critical applications. Different from deterministic models, probabilistic models such as Bayesian neural networks are relatively well-calibrated and able to quantify uncertainty alongside their competitive prediction accuracy. Both of the approaches appear in the federated learning framework; however, the aggregation scheme of deterministic models cannot be directly applied to probabilistic models since weights correspond to distributions instead of point estimates. In this work, we study the effects of various aggregation schemes for variational Bayesian neural networks. With empirical results on three image classification datasets, we observe that the degree of spread for an aggregated distribution is a significant factor in the learning process. Hence, we present an investigation on the question of how to combine variational Bayesian networks in federated learning, while providing benchmarks for different aggregation settings.

Gradient inversion attacks on federated learning systems reconstruct client training data from exchanged gradient information. To defend against such attacks, a variety of defense mechanisms were proposed. However, they usually lead to an unacceptable trade-off between privacy and model utility. Recent observations suggest that dropout could mitigate gradient leakage and improve model utility if added to neural networks. Unfortunately, this phenomenon has not been systematically researched yet. In this work, we thoroughly analyze the effect of dropout on iterative gradient inversion attacks. We find that state of the art attacks are not able to reconstruct the client data due to the stochasticity induced by dropout during model training. Nonetheless, we argue that dropout does not offer reliable protection if the dropout induced stochasticity is adequately modeled during attack optimization. Consequently, we propose a novel Dropout Inversion Attack (DIA) that jointly optimizes for client data and dropout masks to approximate the stochastic client model. We conduct an extensive systematic evaluation of our attack on four seminal model architectures and three image classification datasets of increasing complexity. We find that our proposed attack bypasses the protection seemingly induced by dropout and reconstructs client data with high fidelity. Our work demonstrates that privacy inducing changes to model architectures alone cannot be assumed to reliably protect from gradient leakage and therefore should be combined with complementary defense mechanisms.

We aimed to explore the capability of deep learning to approximate the function instantiated by biological neural circuits-the functional connectome. Using deep neural networks, we performed supervised learning with firing rate observations drawn from synthetically constructed neural circuits, as well as from an empirically supported Boundary Vector Cell-Place Cell network. The performance of trained networks was quantified using a range of criteria and tasks. Our results show that deep neural networks were able to capture the computations performed by synthetic biological networks with high accuracy, and were highly data efficient and robust to biological plasticity. We show that trained deep neural networks are able to perform zero-shot generalisation in novel environments, and allows for a wealth of tasks such as decoding the animal's location in space with high accuracy. Our study reveals a novel and promising direction in systems neuroscience, and can be expanded upon with a multitude of downstream applications, for example, goal-directed reinforcement learning.

Recent diffusion-based generative models combined with vision-language models are capable of creating realistic images from natural language prompts. While these models are trained on large internet-scale datasets, such pre-trained models are not directly introduced to any semantic localization or grounding. Most current approaches for localization or grounding rely on human-annotated localization information in the form of bounding boxes or segmentation masks. The exceptions are a few unsupervised methods that utilize architectures or loss functions geared towards localization, but they need to be trained separately. In this work, we explore how off-the-shelf diffusion models, trained with no exposure to such localization information, are capable of grounding various semantic phrases with no segmentation-specific re-training. An inference time optimization process is introduced, that is capable of generating segmentation masks conditioned on natural language. We evaluate our proposal Peekaboo for unsupervised semantic segmentation on the Pascal VOC dataset. In addition, we evaluate for referring segmentation on the RefCOCO dataset. In summary, we present a first zero-shot, open-vocabulary, unsupervised (no localization information), semantic grounding technique leveraging diffusion-based generative models with no re-training. Our code will be released publicly.

Despite achieving promising results in a breadth of medical image segmentation tasks, deep neural networks require large training datasets with pixel-wise annotations. Obtaining these curated datasets is a cumbersome process which limits the applicability in scenarios. Mixed supervision is an appealing alternative for mitigating this obstacle. In this work, we propose a dual-branch architecture, where the upper branch (teacher) receives strong annotations, while the bottom one (student) is driven by limited supervision and guided by the upper branch. Combined with a standard cross-entropy loss over the labeled pixels, our novel formulation integrates two important terms: (i) a Shannon entropy loss defined over the less-supervised images, which encourages confident student predictions in the bottom branch; and (ii) a KL divergence term, which transfers the knowledge (i.e., predictions) of the strongly supervised branch to the less-supervised branch and guides the entropy (student-confidence) term to avoid trivial solutions. We show that the synergy between the entropy and KL divergence yields substantial improvements in performance. We also discuss an interesting link between Shannon-entropy minimization and standard pseudo-mask generation, and argue that the former should be preferred over the latter for leveraging information from unlabeled pixels. We evaluate the effectiveness of the proposed formulation through a series of quantitative and qualitative experiments using two publicly available datasets. Results demonstrate that our method significantly outperforms other strategies for semantic segmentation within a mixed-supervision framework, as well as recent semi-supervised approaches. Our code is publicly available: https://github.com/by-liu/ConfKD.

The latent world model provides a promising way to learn policies in a compact latent space for tasks with high-dimensional observations, however, its generalization across diverse environments with unseen dynamics remains challenging. Although the recurrent structure utilized in current advances helps to capture local dynamics, modeling only state transitions without an explicit understanding of environmental context limits the generalization ability of the dynamics model. To address this issue, we propose a Prototypical Context-Aware Dynamics (ProtoCAD) model, which captures the local dynamics by time consistent latent context and enables dynamics generalization in high-dimensional control tasks. ProtoCAD extracts useful contextual information with the help of the prototypes clustered over batch and benefits model-based RL in two folds: 1) It utilizes a temporally consistent prototypical regularizer that encourages the prototype assignments produced for different time parts of the same latent trajectory to be temporally consistent instead of comparing the features; 2) A context representation is designed which combines both the projection embedding of latent states and aggregated prototypes and can significantly improve the dynamics generalization ability. Extensive experiments show that ProtoCAD surpasses existing methods in terms of dynamics generalization. Compared with the recurrent-based model RSSM, ProtoCAD delivers 13.2% and 26.7% better mean and median performance across all dynamics generalization tasks.

Recently, probabilistic denoising diffusion models (DDMs) have greatly advanced the generative power of neural networks. DDMs, inspired by non-equilibrium thermodynamics, have not only been used for 2D image generation, but can also readily be applied to 3D point clouds. However, representing 3D shapes as point clouds has a number of drawbacks, most obvious perhaps that they have no notion of topology or connectivity. Here, we explore an alternative route and introduce tetrahedral diffusion models, an extension of DDMs to tetrahedral partitions of 3D space. The much more structured 3D representation with space-filling tetrahedra makes it possible to guide and regularize the diffusion process and to apply it to colorized assets. To manipulate the proposed representation, we develop tetrahedral convolutions, down- and up-sampling kernels. With those operators, 3D shape generation amounts to learning displacement vectors and signed distance values on the tetrahedral grid. Our experiments confirm that Tetrahedral Diffusion yields plausible, visually pleasing and diverse 3D shapes, is able to handle surface attributes like color, and can be guided at test time to manipulate the resulting shapes.

We study the problem of imitating object interactions from Internet videos. This requires understanding the hand-object interactions in 4D, spatially in 3D and over time, which is challenging due to mutual hand-object occlusions. In this paper we make two main contributions: (1) a novel reconstruction technique RHOV (Reconstructing Hands and Objects from Videos), which reconstructs 4D trajectories of both the hand and the object using 2D image cues and temporal smoothness constraints; (2) a system for imitating object interactions in a physics simulator with reinforcement learning. We apply our reconstruction technique to 100 challenging Internet videos. We further show that we can successfully imitate a range of different object interactions in a physics simulator. Our object-centric approach is not limited to human-like end-effectors and can learn to imitate object interactions using different embodiments, like a robotic arm with a parallel jaw gripper.

Data-driven modeling in mechanics is evolving rapidly based on recent machine learning advances, especially on artificial neural networks. As the field matures, new data and models created by different groups become available, opening possibilities for cooperative modeling. However, artificial neural networks suffer from catastrophic forgetting, i.e. they forget how to perform an old task when trained on a new one. This hinders cooperation because adapting an existing model for a new task affects the performance on a previous task trained by someone else. The authors developed a continual learning method that addresses this issue, applying it here for the first time to solid mechanics. In particular, the method is applied to recurrent neural networks to predict history-dependent plasticity behavior, although it can be used on any other architecture (feedforward, convolutional, etc.) and to predict other phenomena. This work intends to spawn future developments on continual learning that will foster cooperative strategies among the mechanics community to solve increasingly challenging problems. We show that the chosen continual learning strategy can sequentially learn several constitutive laws without forgetting them, using less data to achieve the same error as standard training of one law per model.

A wide range of machine learning applications such as privacy-preserving learning, algorithmic fairness, and domain adaptation/generalization among others, involve learning invariant representations of the data that aim to achieve two competing goals: (a) maximize information or accuracy with respect to a target response, and (b) maximize invariance or independence with respect to a set of protected features (e.g., for fairness, privacy, etc). Despite their wide applicability, theoretical understanding of the optimal tradeoffs -- with respect to accuracy, and invariance -- achievable by invariant representations is still severely lacking. In this paper, we provide an information theoretic analysis of such tradeoffs under both classification and regression settings. More precisely, we provide a geometric characterization of the accuracy and invariance achievable by any representation of the data; we term this feasible region the information plane. We provide an inner bound for this feasible region for the classification case, and an exact characterization for the regression case, which allows us to either bound or exactly characterize the Pareto optimal frontier between accuracy and invariance. Although our contributions are mainly theoretical, a key practical application of our results is in certifying the potential sub-optimality of any given representation learning algorithm for either classification or regression tasks. Our results shed new light on the fundamental interplay between accuracy and invariance, and may be useful in guiding the design of future representation learning algorithms.

Visual explanation of "black-box" models has enabled researchers and experts in artificial intelligence (AI) to exploit the localization abilities of such methods to a much greater extent. Despite most of the developed visual explanation methods applied to single object classification problems, they are not well-explored in the detection task, where the challenges may go beyond simple coarse area-based discrimination. This is of particular importance when a detector should face several objects with different scales from various viewpoints or if the objects of interest are absent. In this paper, we propose CrownCAM to generate reliable visual explanations for the challenging and dynamic problem of tree crown detection in aerial images. It efficiently provides fine-grain localization of tree crowns and non-contextual background suppression for scenarios with highly dense forest trees in the presence of potential distractors or scenes without tree crowns. Additionally, two Intersection over Union (IoU)-based metrics are introduced that can effectively quantify both the accuracy and inaccuracy of generated visual explanations with respect to regions with or without tree crowns in the image. Empirical evaluations demonstrate that the proposed Crown-CAM outperforms the Score-CAM, Augmented ScoreCAM, and Eigen-CAM methods by an average IoU margin of 8.7, 5.3, and 21.7 (and 3.3, 9.8, and 16.5) respectively in improving the accuracy (and decreasing inaccuracy) of visual explanations on the challenging NEON tree crown dataset.

As the technology industry is moving towards implementing tasks such as natural language processing, path planning, image classification, and more on smaller edge computing devices, the demand for more efficient implementations of algorithms and hardware accelerators has become a significant area of research. In recent years, several edge deep learning hardware accelerators have been released that specifically focus on reducing the power and area consumed by deep neural networks (DNNs). On the other hand, spiking neural networks (SNNs) which operate on discrete time-series data, have been shown to achieve substantial power reductions over even the aforementioned edge DNN accelerators when deployed on specialized neuromorphic event-based/asynchronous hardware. While neuromorphic hardware has demonstrated great potential for accelerating deep learning tasks at the edge, the current space of algorithms and hardware is limited and still in rather early development. Thus, many hybrid approaches have been proposed which aim to convert pre-trained DNNs into SNNs. In this work, we provide a general guide to converting pre-trained DNNs into SNNs while also presenting techniques to improve the deployment of converted SNNs on neuromorphic hardware with respect to latency, power, and energy. Our experimental results show that when compared against the Intel Neural Compute Stick 2, Intel's neuromorphic processor, Loihi, consumes up to 27x less power and 5x less energy in the tested image classification tasks by using our SNN improvement techniques.

We show that the popular reinforcement learning (RL) strategy of estimating the state-action value (Q-function) by minimizing the mean squared Bellman error leads to a regression problem with confounding, the inputs and output noise being correlated. Hence, direct minimization of the Bellman error can result in significantly biased Q-function estimates. We explain why fixing the target Q-network in Deep Q-Networks and Fitted Q Evaluation provides a way of overcoming this confounding, thus shedding new light on this popular but not well understood trick in the deep RL literature. An alternative approach to address confounding is to leverage techniques developed in the causality literature, notably instrumental variables (IV). We bring together here the literature on IV and RL by investigating whether IV approaches can lead to improved Q-function estimates. This paper analyzes and compares a wide range of recent IV methods in the context of offline policy evaluation (OPE), where the goal is to estimate the value of a policy using logged data only. By applying different IV techniques to OPE, we are not only able to recover previously proposed OPE methods such as model-based techniques but also to obtain competitive new techniques. We find empirically that state-of-the-art OPE methods are closely matched in performance by some IV methods such as AGMM, which were not developed for OPE. We open-source all our code and datasets at https://github.com/liyuan9988/IVOPEwithACME.

Class-imbalance is a common problem in machine learning practice. Typical Imbalanced Learning (IL) methods balance the data via intuitive class-wise resampling or reweighting. However, previous studies suggest that beyond class-imbalance, intrinsic data difficulty factors like overlapping, noise, and small disjuncts also play critical roles. To handle them, many solutions have been proposed (e.g., noise removal, borderline sampling, hard example mining) but are still confined to a specific factor and cannot generalize to broader scenarios, which raises an interesting question: how to handle both class-agnostic difficulties and the class-imbalance in a unified way? To answer this, we consider both class-imbalance and its orthogonal: intra-class imbalance, i.e., the imbalanced distribution over easy and hard samples. Such distribution naturally reflects the complex influence of class-agnostic intrinsic data difficulties thus providing a new unified view for identifying and handling these factors during learning. From this perspective, we discuss the pros and cons of existing IL solutions and further propose new balancing techniques for more robust and efficient IL. Finally, we wrap up all solutions into a generic ensemble IL framework, namely DuBE (Duple-Balanced Ensemble). It features explicit and efficient inter-\&intra-class balancing as well as easy extension with standardized APIs. Extensive experiments validate the effectiveness of DuBE. Code, examples, and documentation are available at https://github.com/AnonAuthorAI/duplebalance and https://duplebalance.readthedocs.io.

Sample-efficient offline reinforcement learning (RL) with linear function approximation has recently been studied extensively. Much of prior work has yielded the minimax-optimal bound of $\tilde{\mathcal{O}}(\frac{1}{\sqrt{K}})$, with $K$ being the number of episodes in the offline data. In this work, we seek to understand instance-dependent bounds for offline RL with function approximation. We present an algorithm called Bootstrapped and Constrained Pessimistic Value Iteration (BCP-VI), which leverages data bootstrapping and constrained optimization on top of pessimism. We show that under a partial data coverage assumption, that of \emph{concentrability} with respect to an optimal policy, the proposed algorithm yields a fast rate of $\tilde{\mathcal{O}}(\frac{1}{K})$ for offline RL when there is a positive gap in the optimal Q-value functions, even when the offline data were adaptively collected. Moreover, when the linear features of the optimal actions in the states reachable by an optimal policy span those reachable by the behavior policy and the optimal actions are unique, offline RL achieves absolute zero sub-optimality error when $K$ exceeds a (finite) instance-dependent threshold. To the best of our knowledge, these are the first $\tilde{\mathcal{O}}(\frac{1}{K})$ bound and absolute zero sub-optimality bound respectively for offline RL with linear function approximation from adaptive data with partial coverage. We also provide instance-agnostic and instance-dependent information-theoretical lower bounds to complement our upper bounds.

The future transportation system will be a multi-agent network where connected AI agents can work together to address the grand challenges in our age, e.g., mitigation of real-world driving energy consumption. Distinguished from the existing research on vehicle energy management, which decoupled multiple inputs and multiple outputs (MIMO) control into single-output(MISO) control, this paper studied a multi-agent deep reinforcement learning (MADRL) framework to deal with multiple control outputs simultaneously. A new hand-shaking strategy is proposed for the DRL agents by introducing an independence ratio, and a parametric study is conducted to obtain the best setting for the MADRL framework. The study suggested that the MADRL with an independence ratio of 0.2 is the best, and more than 2.4% of energy can be saved over the conventional DRL framework.

An open problem on the path to artificial intelligence is generalization from the known to the unknown, which is instantiated as Generalized Zero-Shot Learning (GZSL) task. In this work, we propose a novel Evolutionary Generalized Zero-Shot Learning setting, which (i) avoids the domain shift problem in inductive GZSL, and (ii) is more in line with the needs of real-world deployments than transductive GZSL. In the proposed setting, a zero-shot model with poor initial performance is able to achieve online evolution during application. We elaborate on three challenges of this special task, i.e., catastrophic forgetting, initial prediction bias, and evolutionary data class bias. Moreover, we propose targeted solutions for each challenge, resulting in a generic method capable of continuing to evolve on a given initial IGZSL model. Experiments on three popular GZSL benchmark datasets show that our model can learn from the test data stream while other baselines fail.

Dimensional reduction~(DR) maps high-dimensional data into a lower dimensions latent space with minimized defined optimization objectives. The DR method usually falls into feature selection~(FS) and feature projection~(FP). FS focuses on selecting a critical subset of dimensions but risks destroying the data distribution (structure). On the other hand, FP combines all the input features into lower dimensions space, aiming to maintain the data structure; but lacks interpretability and sparsity. FS and FP are traditionally incompatible categories; thus, they have not been unified into an amicable framework. We propose that the ideal DR approach combines both FS and FP into a unified end-to-end manifold learning framework, simultaneously performing fundamental feature discovery while maintaining the intrinsic relationships between data samples in the latent space. In this work, we develop a unified framework, Unified Dimensional Reduction Neural-network~(UDRN), that integrates FS and FP in a compatible, end-to-end way. We improve the neural network structure by implementing FS and FP tasks separately using two stacked sub-networks. In addition, we designed data augmentation of the DR process to improve the generalization ability of the method when dealing with extensive feature datasets and designed loss functions that can cooperate with the data augmentation. Extensive experimental results on four image and four biological datasets, including very high-dimensional data, demonstrate the advantages of DRN over existing methods~(FS, FP, and FS\&FP pipeline), especially in downstream tasks such as classification and visualization.

This paper presents a new perspective of self-supervised learning based on extending heat equation into high dimensional feature space. In particular, we remove time dependence by steady-state condition, and extend the remaining 2D Laplacian from x--y isotropic to linear correlated. Furthermore, we simplify it by splitting x and y axes as two first-order linear differential equations. Such simplification explicitly models the spatial invariance along horizontal and vertical directions separately, supporting prediction across image blocks. This introduces a very simple masked image modeling (MIM) method, named QB-Heat. QB-Heat leaves a single block with size of quarter image unmasked and extrapolates other three masked quarters linearly. It brings MIM to CNNs without bells and whistles, and even works well for pre-training light-weight networks that are suitable for both image classification and object detection without fine-tuning. Compared with MoCo-v2 on pre-training a Mobile-Former with 5.8M parameters and 285M FLOPs, QB-Heat is on par in linear probing on ImageNet, but clearly outperforms in non-linear probing that adds a transformer block before linear classifier (65.6% vs. 52.9%). When transferring to object detection with frozen backbone, QB-Heat outperforms MoCo-v2 and supervised pre-training on ImageNet by 7.9 and 4.5 AP respectively. This work provides an insightful hypothesis on the invariance within visual representation over different shapes and textures: the linear relationship between horizontal and vertical derivatives. The code will be publicly released.

Computer vision models suffer from a phenomenon known as catastrophic forgetting when learning novel concepts from continuously shifting training data. Typical solutions for this continual learning problem require extensive rehearsal of previously seen data, which increases memory costs and may violate data privacy. Recently, the emergence of large-scale pre-trained vision transformer models has enabled prompting approaches as an alternative to data-rehearsal. These approaches rely on a key-query mechanism to generate prompts and have been found to be highly resistant to catastrophic forgetting in the well-established rehearsal-free continual learning setting. However, the key mechanism of these methods is not trained end-to-end with the task sequence. Our experiments show that this leads to a reduction in their plasticity, hence sacrificing new task accuracy, and inability to benefit from expanded parameter capacity. We instead propose to learn a set of prompt components which are assembled with input-conditioned weights to produce input-conditioned prompts, resulting in a novel attention-based end-to-end key-query scheme. Our experiments show that we outperform the current SOTA method DualPrompt on established benchmarks by as much as 5.4% in average accuracy. We also outperform the state of art by as much as 6.6% accuracy on a continual learning benchmark which contains both class-incremental and domain-incremental task shifts, corresponding to many practical settings.

Reinforcement learning (RL) is currently used in various real-life applications. RL-based solutions have the potential to generically address problems, including the ones that are difficult to solve with heuristics and meta-heuristics and, in addition, the set of problems and issues where some intelligent or cognitive approach is required. However, reinforcement learning agents require a not straightforward design and have important design issues. RL agent design issues include the target problem modeling, state-space explosion, the training process, and agent efficiency. Research currently addresses these issues aiming to foster RL dissemination. A BAM model, in summary, allocates and shares resources with users. There are three basic BAM models and several hybrids that differ in how they allocate and share resources among users. This paper addresses the issue of an RL agent design and efficiency. The RL agent's objective is to allocate and share resources among users. The paper investigates how a BAM model can contribute to the RL agent design and efficiency. The AllocTC-Sharing (ATCS) model is analytically described and simulated to evaluate how it mimics the RL agent operation and how the ATCS can offload computational tasks from the RL agent. The essential argument researched is whether algorithms integrated with the RL agent design and operation have the potential to facilitate agent design and optimize its execution. The ATCS analytical model and simulation presented demonstrate that a BAM model offloads agent tasks and assists the agent's design and optimization.

Efficient planning in continuous state and action spaces is fundamentally hard, even when the transition model is deterministic and known. One way to alleviate this challenge is to perform bilevel planning with abstractions, where a high-level search for abstract plans is used to guide planning in the original transition space. Previous work has shown that when state abstractions in the form of symbolic predicates are hand-designed, operators and samplers for bilevel planning can be learned from demonstrations. In this work, we propose an algorithm for learning predicates from demonstrations, eliminating the need for manually specified state abstractions. Our key idea is to learn predicates by optimizing a surrogate objective that is tractable but faithful to our real efficient-planning objective. We use this surrogate objective in a hill-climbing search over predicate sets drawn from a grammar. Experimentally, we show across four robotic planning environments that our learned abstractions are able to quickly solve held-out tasks, outperforming six baselines. Code: https://tinyurl.com/predicators-release  ( 2 min )

In this paper, we study the problem of identifying logos of business brands in natural scenes in an open-set one-shot setting. This problem setup is significantly more challenging than traditionally-studied 'closed-set' and 'large-scale training samples per category' logo recognition settings. We propose a novel multi-view textual-visual encoding framework that encodes text appearing in the logos as well as the graphical design of the logos to learn robust contrastive representations. These representations are jointly learned for multiple views of logos over a batch and thereby they generalize well to unseen logos. We evaluate our proposed framework for cropped logo verification, cropped logo identification, and end-to-end logo identification in natural scene tasks; and compare it against state-of-the-art methods. Further, the literature lacks a 'very-large-scale' collection of reference logo images that can facilitate the study of one-hundred thousand-scale logo identification. To fill this gap in the literature, we introduce Wikidata Reference Logo Dataset (WiRLD), containing logos for 100K business brands harvested from Wikidata. Our proposed framework that achieves an area under the ROC curve of 91.3% on the QMUL-OpenLogo dataset for the verification task, outperforms state-of-the-art methods by 9.1% and 2.6% on the one-shot logo identification task on the Toplogos-10 and the FlickrLogos32 datasets, respectively. Further, we show that our method is more stable compared to other baselines even when the number of candidate logos is on a 100K scale.

Bayesian deep learning seeks to equip deep neural networks with the ability to precisely quantify their predictive uncertainty, and has promised to make deep learning more reliable for safety-critical real-world applications. Yet, existing Bayesian deep learning methods fall short of this promise; new methods continue to be evaluated on unrealistic test beds that do not reflect the complexities of downstream real-world tasks that would benefit most from reliable uncertainty quantification. We propose the RETINA Benchmark, a set of real-world tasks that accurately reflect such complexities and are designed to assess the reliability of predictive models in safety-critical scenarios. Specifically, we curate two publicly available datasets of high-resolution human retina images exhibiting varying degrees of diabetic retinopathy, a medical condition that can lead to blindness, and use them to design a suite of automated diagnosis tasks that require reliable predictive uncertainty quantification. We use these tasks to benchmark well-established and state-of-the-art Bayesian deep learning methods on task-specific evaluation metrics. We provide an easy-to-use codebase for fast and easy benchmarking following reproducibility and software design principles. We provide implementations of all methods included in the benchmark as well as results computed over 100 TPU days, 20 GPU days, 400 hyperparameter configurations, and evaluation on at least 6 random seeds each.  ( 3 min )

Light microscopy is routinely used to look at living cells and biological tissues at sub-cellular resolution. Components of the imaged cells can be highlighted using fluorescent labels, allowing biologists to investigate individual structures of interest. Given the complexity of biological processes, it is typically necessary to look at multiple structures simultaneously, typically via a temporal multiplexing scheme. Still, imaging more than 3 or 4 structures in this way is difficult for technical reasons and limits the rate of scientific progress in the life sciences. Hence, a computational method to split apart (decompose) superimposed biological structures acquired in a single image channel, i.e. without temporal multiplexing, would have tremendous impact. Here we present {\mu}Split, a dedicated approach for trained image decomposition. We find that best results using regular deep architectures is achieved when large image patches are used during training, making memory consumption the limiting factor to further improving performance. We therefore introduce lateral contextualization (LC), a memory efficient way to train deep networks that operate well on small input patches. In later layers, additional image context is fed at adequately lowered resolution. We integrate LC with Hierarchical Autoencoders and Hierarchical VAEs.For the latter, we also present a modified ELBO loss and show that it enables sound VAE training. We apply {\mu}Split to five decomposition tasks, one on a synthetic dataset, four others derived from two real microscopy datasets. LC consistently achieves SOTA results, while simultaneously requiring considerably less GPU memory than competing architectures not using LC. When introducing LC, results obtained with the above-mentioned vanilla architectures do on average improve by 2.36 dB (PSNR decibel), with individual improvements ranging from 0.9 to 3.4 dB.

In many risk-aware and multi-objective reinforcement learning settings, the utility of the user is derived from a single execution of a policy. In these settings, making decisions based on the average future returns is not suitable. For example, in a medical setting a patient may only have one opportunity to treat their illness. Making decisions using just the expected future returns -- known in reinforcement learning as the value -- cannot account for the potential range of adverse or positive outcomes a decision may have. Therefore, we should use the distribution over expected future returns differently to represent the critical information that the agent requires at decision time by taking both the future and accrued returns into consideration. In this paper, we propose two novel Monte Carlo tree search algorithms. Firstly, we present a Monte Carlo tree search algorithm that can compute policies for nonlinear utility functions (NLU-MCTS) by optimising the utility of the different possible returns attainable from individual policy executions, resulting in good policies for both risk-aware and multi-objective settings. Secondly, we propose a distributional Monte Carlo tree search algorithm (DMCTS) which extends NLU-MCTS. DMCTS computes an approximate posterior distribution over the utility of the returns, and utilises Thompson sampling during planning to compute policies in risk-aware and multi-objective settings. Both algorithms outperform the state-of-the-art in multi-objective reinforcement learning for the expected utility of the returns.

The realization of complex classification tasks requires training of deep learning (DL) architectures consisting of tens or even hundreds of convolutional and fully connected hidden layers, which is far from the reality of the human brain. According to the DL rationale, the first convolutional layer reveals localized patterns in the input and large-scale patterns in the following layers, until it reliably characterizes a class of inputs. Here, we demonstrate that with a fixed ratio between the depths of the first and second convolutional layers, the error rates of the generalized shallow LeNet architecture, consisting of only five layers, decay as a power law with the number of filters in the first convolutional layer. The extrapolation of this power law indicates that the generalized LeNet can achieve small error rates that were previously obtained for the CIFAR-10 database using DL architectures. A power law with a similar exponent also characterizes the generalized VGG-16 architecture. However, this results in a significantly increased number of operations required to achieve a given error rate with respect to LeNet. This power law phenomenon governs various generalized LeNet and VGG-16 architectures, hinting at its universal behavior and suggesting a quantitative hierarchical time-space complexity among machine learning architectures. Additionally, the conservation law along the convolutional layers, which is the square-root of their size times their depth, is found to asymptotically minimize error rates. The efficient shallow learning that is demonstrated in this study calls for further quantitative examination using various databases and architectures and its accelerated implementation using future dedicated hardware developments.

Android malware attacks are increasing daily at a tremendous volume, making Android users more vulnerable to cyber-attacks. Researchers have developed many machine learning (ML)/ deep learning (DL) techniques to detect and mitigate android malware attacks. However, due to technological advancement, there is a rise in android mobile devices. Furthermore, the devices are geographically dispersed, resulting in distributed data. In such scenario, traditional ML/DL techniques are infeasible since all of these approaches require the data to be kept in a central system; this may provide a problem for user privacy because of the massive proliferation of Android mobile devices; putting the data in a central system creates an overhead. Also, the traditional ML/DL-based android malware classification techniques are not scalable. Researchers have proposed federated learning (FL) based android malware classification system to solve the privacy preservation and scalability with high classification performance. In traditional FL, Federated Averaging (FedAvg) is utilized to construct the global model at each round by merging all of the local models obtained from all of the customers that participated in the FL. However, the conventional FedAvg has a disadvantage: if one poor-performing local model is included in global model development for each round, it may result in an under-performing global model. Because FedAvg favors all local models equally when averaging. To address this issue, our main objective in this work is to design a dynamic weighted federated averaging (DW-FedAvg) strategy in which the weights for each local model are automatically updated based on their performance at the client. The DW-FedAvg is evaluated using four popular benchmark datasets, Melgenome, Drebin, Kronodroid and Tuandromd used in android malware classification research.  ( 3 min )

While rigid origami has shown potential in a large diversity of engineering applications, current rigid origami crease pattern designs mostly rely on known tessellations. This leaves a potential gap in performance as the space of rigidly foldable crease patterns is far larger than these tessellations would suggest. In this work, we build upon the recently developed principle of three units method to formulate rigid origami design as a discrete optimization problem. Our implementation allows for a simple definition of diverse objectives and thereby expands the potential of rigid origami further to optimized, application-specific crease patterns. We benchmark a diverse set of search methods in several shape approximation tasks to validate our model and showcase the flexibility of our formulation through four illustrative case studies. Results show that using our proposed problem formulation one can successfully approximate a variety of target shapes. Moreover, by specifying custom reward functions, we can find patterns, which result in novel, foldable designs for everyday objects.

To bridge the ever increasing gap between deep neural networks' complexity and hardware capability, network quantization has attracted more and more research attention. The latest trend of mixed precision quantization takes advantage of hardware's multiple bit-width arithmetic operations to unleash the full potential of network quantization. However, this also results in a difficult integer programming formulation, and forces most existing approaches to use an extremely time-consuming search process even with various relaxations. Instead of solving a problem of the original integer programming, we propose to optimize a proxy metric, the concept of network orthogonality, which is highly correlated with the loss of the integer programming but also easy to optimize with linear programming. This approach reduces the search time and required data amount by orders of magnitude, with little compromise on quantization accuracy. Specifically, we achieve 72.08% Top-1 accuracy on ResNet-18 with 6.7Mb, which does not require any searching iterations. Given the high efficiency and low data dependency of our algorithm, we used it for the post-training quantization, which achieve 71.27% Top-1 accuracy on MobileNetV2 with only 1.5Mb. Our code is available at https://github.com/MAC-AutoML/OMPQ.

Current models on Explainable Artificial Intelligence (XAI) have shown an evident and quantified lack of reliability for measuring feature-relevance when statistically entangled features are proposed for training deep classifiers. There has been an increase in the application of Deep Learning in clinical trials to predict early diagnosis of neuro-developmental disorders, such as Autism Spectrum Disorder (ASD). However, the inclusion of more reliable saliency-maps to obtain more trustworthy and interpretable metrics using neural activity features is still insufficiently mature for practical applications in diagnostics or clinical trials. Moreover, in ASD research the inclusion of deep classifiers that use neural measures to predict viewed facial emotions is relatively unexplored. Therefore, in this study we propose the evaluation of a Convolutional Neural Network (CNN) for electroencephalography (EEG)-based facial emotion recognition decoding complemented with a novel RemOve-And-Retrain (ROAR) methodology to recover highly relevant features used in the classifier. Specifically, we compare well-known relevance maps such as Layer-Wise Relevance Propagation (LRP), PatternNet, Pattern-Attribution, and Smooth-Grad Squared. This study is the first to consolidate a more transparent feature-relevance calculation for a successful EEG-based facial emotion recognition using a within-subject-trained CNN in typically-developed and ASD individuals.

Convolutional Neural Networks (CNNs) are the state-of-the-art solution for many deep learning applications. For maximum scalability, their computation should combine high performance and energy efficiency. In practice, the convolutions of each CNN layer are mapped to a matrix multiplication that includes all input features and kernels of each layer and is computed using a systolic array. In this work, we focus on the design of a systolic array with configurable pipeline with the goal to select an optimal pipeline configuration for each CNN layer. The proposed systolic array, called ArrayFlex, can operate in normal, or in shallow pipeline mode, thus balancing the execution time in cycles and the operating clock frequency. By selecting the appropriate pipeline configuration per CNN layer, ArrayFlex reduces the inference latency of state-of-the-art CNNs by 11%, on average, as compared to a traditional fixed-pipeline systolic array. Most importantly, this result is achieved while using 13%-23% less power, for the same applications, thus offering a combined energy-delay-product efficiency between 1.4x and 1.8x.  ( 2 min )

Federated learning (FL) is a technique for distributed machine learning (ML), in which edge devices carry out local model training on their individual datasets. In traditional FL algorithms, trained models at the edge are periodically sent to a central server for aggregation, utilizing a star topology as the underlying communication graph. However, assuming access to a central coordinator is not always practical, e.g., in ad hoc wireless network settings. In this paper, we develop a novel methodology for fully decentralized FL, where in addition to local training, devices conduct model aggregation via cooperative consensus formation with their one-hop neighbors over the decentralized underlying physical network. We further eliminate the need for a timing coordinator by introducing asynchronous, event-triggered communications among the devices. In doing so, to account for the inherent resource heterogeneity challenges in FL, we define personalized communication triggering conditions at each device that weigh the change in local model parameters against the available local resources. We theoretically demonstrate that our methodology converges to the globally optimal learning model at a $O{(\frac{\ln{k}}{\sqrt{k}})}$ rate under standard assumptions in distributed learning and consensus literature. Our subsequent numerical evaluations demonstrate that our methodology obtains substantial improvements in convergence speed and/or communication savings compared with existing decentralized FL baselines.  ( 2 min )

Multimodal models trained on large natural image-text pair datasets have exhibited astounding abilities in generating high-quality images. Medical imaging data is fundamentally different to natural images, and the language used to succinctly capture relevant details in medical data uses a different, narrow but semantically rich, domain-specific vocabulary. Not surprisingly, multi-modal models trained on natural image-text pairs do not tend to generalize well to the medical domain. Developing generative imaging models faithfully representing medical concepts while providing compositional diversity could mitigate the existing paucity of high-quality, annotated medical imaging datasets. In this work, we develop a strategy to overcome the large natural-medical distributional shift by adapting a pre-trained latent diffusion model on a corpus of publicly available chest x-rays (CXR) and their corresponding radiology (text) reports. We investigate the model's ability to generate high-fidelity, diverse synthetic CXR conditioned on text prompts. We assess the model outputs quantitatively using image quality metrics, and evaluate image quality and text-image alignment by human domain experts. We present evidence that the resulting model (RoentGen) is able to create visually convincing, diverse synthetic CXR images, and that the output can be controlled to a new extent by using free-form text prompts including radiology-specific language. Fine-tuning this model on a fixed training set and using it as a data augmentation method, we measure a 5% improvement of a classifier trained jointly on synthetic and real images, and a 3% improvement when trained on a larger but purely synthetic training set. Finally, we observe that this fine-tuning distills in-domain knowledge in the text-encoder and can improve its representation capabilities of certain diseases like pneumothorax by 25%.

We introduce the Momentum Transformer, an attention-based deep-learning architecture, which outperforms benchmark time-series momentum and mean-reversion trading strategies. Unlike state-of-the-art Long Short-Term Memory (LSTM) architectures, which are sequential in nature and tailored to local processing, an attention mechanism provides our architecture with a direct connection to all previous time-steps. Our architecture, an attention-LSTM hybrid, enables us to learn longer-term dependencies, improves performance when considering returns net of transaction costs and naturally adapts to new market regimes, such as during the SARS-CoV-2 crisis. Via the introduction of multiple attention heads, we can capture concurrent regimes, or temporal dynamics, which are occurring at different timescales. The Momentum Transformer is inherently interpretable, providing us with greater insights into our deep-learning momentum trading strategy, including the importance of different factors over time and the past time-steps which are of the greatest significance to the model.  ( 3 min )

Several speech processing systems have demonstrated considerable performance improvements when deep complex neural networks (DCNN) are coupled with self-attention (SA) networks. However, the majority of DCNN-based studies on speech dereverberation that employ self-attention do not explicitly account for the inter-dependencies between real and imaginary features when computing attention. In this study, we propose a complex-valued T-F attention (TFA) module that models spectral and temporal dependencies by computing two-dimensional attention maps across time and frequency dimensions. We validate the effectiveness of our proposed complex-valued TFA module with the deep complex convolutional recurrent network (DCCRN) using the REVERB challenge corpus. Experimental findings indicate that integrating our complex-TFA module with DCCRN improves overall speech quality and performance of back-end speech applications, such as automatic speech recognition, compared to earlier approaches for self-attention.

Graph clustering, which aims to divide the nodes in the graph into several distinct clusters, is a fundamental and challenging task. In recent years, deep graph clustering methods have been increasingly proposed and achieved promising performance. However, the corresponding survey paper is scarce and it is imminent to make a summary in this field. From this motivation, this paper makes the first comprehensive survey of deep graph clustering. Firstly, the detailed definition of deep graph clustering and the important baseline methods are introduced. Besides, the taxonomy of deep graph clustering methods is proposed based on four different criteria including graph type, network architecture, learning paradigm, and clustering method. In addition, through the careful analysis of the existing works, the challenges and opportunities from five perspectives are summarized. At last, the applications of deep graph clustering in four domains are presented. It is worth mentioning that a collection of state-of-the-art deep graph clustering methods including papers, codes, and datasets is available on GitHub. We hope this work will serve as a quick guide and help researchers to overcome challenges in this vibrant field.

The prevailing reinforcement-learning-based traffic signal control methods are typically staging-optimizable or duration-optimizable, depending on the action spaces. In this paper, we propose a novel control architecture, TBO, which is based on hybrid proximal policy optimization. To the best of our knowledge, TBO is the first RL-based algorithm to implement synchronous optimization of the staging and duration. Compared to discrete and continuous action spaces, hybrid action space is a merged search space, in which TBO better implements the trade-off between frequent switching and unsaturated release. Experiments are given to demonstrate that TBO reduces the queue length and delay by 13.78% and 14.08% on average, respectively, compared to the existing baselines. Furthermore, we calculate the Gini coefficients of the right-of-way to indicate TBO does not harm fairness while improving efficiency.

We propose a novel deterministic sampling method to approximate a target distribution $\rho^*$ by minimizing the kernel discrepancy, also known as the Maximum Mean Discrepancy (MMD). By employing the general \emph{energetic variational inference} framework (Wang et al., 2021), we convert the problem of minimizing MMD to solving a dynamic ODE system of the particles. We adopt the implicit Euler numerical scheme to solve the ODE systems. This leads to a proximal minimization problem in each iteration of updating the particles, which can be solved by optimization algorithms such as L-BFGS. The proposed method is named EVI-MMD. To overcome the long-existing issue of bandwidth selection of the Gaussian kernel, we propose a novel way to specify the bandwidth dynamically. Through comprehensive numerical studies, we have shown the proposed adaptive bandwidth significantly improves the EVI-MMD. We use the EVI-MMD algorithm to solve two types of sampling problems. In the first type, the target distribution is given by a fully specified density function. The second type is a "two-sample problem", where only training data are available. The EVI-MMD method is used as a generative learning model to generate new samples that follow the same distribution as the training data. With the recommended settings of the tuning parameters, we show that the proposed EVI-MMD method outperforms some existing methods for both types of problems.

Creating large-scale high-quality labeled datasets is a major bottleneck in supervised machine learning workflows. Auto-labeling systems are a promising way to reduce reliance on manual labeling for dataset construction. Threshold-based auto-labeling, where validation data obtained from humans is used to find a threshold for confidence above which the data is machine-labeled, is emerging as a popular solution used widely in practice. Given the long shelf-life and diverse usage of the resulting datasets, understanding when the data obtained by such auto-labeling systems can be relied on is crucial. In this work, we analyze threshold-based auto-labeling systems and derive sample complexity bounds on the amount of human-labeled validation data required for guaranteeing the quality of machine-labeled data. Our results provide two insights. First, reasonable chunks of the unlabeled data can be automatically and accurately labeled by seemingly bad models. Second, a hidden downside of threshold-based auto-labeling systems is potentially prohibitive validation data usage. Together, these insights describe the promise and pitfalls of using such systems. We validate our theoretical guarantees with simulations and study the efficacy of threshold-based auto-labeling on real datasets.  ( 2 min )

Conductance-based graph clustering has been recognized as a fundamental operator in numerous graph analysis applications. Despite the significant success of conductance-based graph clustering, existing algorithms are either hard to obtain satisfactory clustering qualities, or have high time and space complexity to achieve provable clustering qualities. To overcome these limitations, we devise a powerful \textit{peeling}-based graph clustering framework \textit{PCon}. We show that many existing solutions can be reduced to our framework. Namely, they first define a score function for each vertex, then iteratively remove the vertex with the smallest score. Finally, they output the result with the smallest conductance during the peeling process. Based on our framework, we propose two novel algorithms \textit{PCon\_core} and \emph{PCon\_de} with linear time and space complexity, which can efficiently and effectively identify clusters from massive graphs with more than a few billion edges. Surprisingly, we prove that \emph{PCon\_de} can identify clusters with near-constant approximation ratio, resulting in an important theoretical improvement over the well-known quadratic Cheeger bound. Empirical results on real-life and synthetic datasets show that our algorithms can achieve 5$\sim$42 times speedup with a high clustering accuracy, while using 1.4$\sim$7.8 times less memory than the baseline algorithms.  ( 2 min )

Graph convolutional networks (GCNs) is a class of artificial neural networks for processing data that can be represented as graphs. Since financial transactions can naturally be constructed as graphs, GCNs are widely applied in the financial industry, especially for financial fraud detection. In this paper, we focus on fraud detection on cryptocurrency truct networks. In the literature, most works focus on static networks. Whereas in this study, we consider the evolving nature of cryptocurrency networks, and use local structural as well as the balance theory to guide the training process. More specifically, we compute motif matrices to capture the local topological information, then use them in the GCN aggregation process. The generated embedding at each snapshot is a weighted average of embeddings within a time window, where the weights are learnable parameters. Since the trust networks is signed on each edge, balance theory is used to guide the training process. Experimental results on bitcoin-alpha and bitcoin-otc datasets show that the proposed model outperforms those in the literature.

Closed-loop sleep modulation is an emerging research paradigm to treat sleep disorders and enhance sleep benefits. However, two major barriers hinder the widespread application of this research paradigm. First, subjects often need to be wire-connected to rack-mount instrumentation for data acquisition, which negatively affects sleep quality. Second, conventional real-time sleep stage classification algorithms give limited performance. In this work, we conquer these two limitations by developing a sleep modulation system that supports closed-loop operations on the device. Sleep stage classification is performed using a lightweight deep learning (DL) model accelerated by a low-power field-programmable gate array (FPGA) device. The DL model uses a single channel electroencephalogram (EEG) as input. Two convolutional neural networks (CNNs) are used to capture general and detailed features, and a bidirectional long-short-term memory (LSTM) network is used to capture time-variant sequence features. An 8-bit quantization is used to reduce the computational cost without compromising performance. The DL model has been validated using a public sleep database containing 81 subjects, achieving a state-of-the-art classification accuracy of 85.8% and a F1-score of 79%. The developed model has also shown the potential to be generalized to different channels and input data lengths. Closed-loop in-phase auditory stimulation has been demonstrated on the test bench.

In this work, we study how to efficiently obtain perfect samples from a discrete distribution $\mathcal{D}$ given access only to pairwise comparisons of elements of its support. Specifically, we assume access to samples $(x, S)$, where $S$ is drawn from a distribution over sets $\mathcal{Q}$ (indicating the elements being compared), and $x$ is drawn from the conditional distribution $\mathcal{D}_S$ (indicating the winner of the comparison) and aim to output a clean sample $y$ distributed according to $\mathcal{D}$. We mainly focus on the case of pairwise comparisons where all sets $S$ have size 2. We design a Markov chain whose stationary distribution coincides with $\mathcal{D}$ and give an algorithm to obtain exact samples using the technique of Coupling from the Past. However, the sample complexity of this algorithm depends on the structure of the distribution $\mathcal{D}$ and can be even exponential in the support of $\mathcal{D}$ in many natural scenarios. Our main contribution is to provide an efficient exact sampling algorithm whose complexity does not depend on the structure of $\mathcal{D}$. To this end, we give a parametric Markov chain that mixes significantly faster given a good approximation to the stationary distribution. We can obtain such an approximation using an efficient learning from pairwise comparisons algorithm (Shah et al., JMLR 17, 2016). Our technique for speeding up sampling from a Markov chain whose stationary distribution is approximately known is simple, general and possibly of independent interest.

With the advancements in deep learning approaches, the performance of speech enhancing systems in the presence of background noise have shown significant improvements. However, improving the system's robustness against reverberation is still a work in progress, as reverberation tends to cause loss of formant structure due to smearing effects in time and frequency. A wide range of deep learning-based systems either enhance the magnitude response and reuse the distorted phase or enhance complex spectrogram using a complex time-frequency mask. Though these approaches have demonstrated satisfactory performance, they do not directly address the lost formant structure caused by reverberation. We believe that retrieving the formant structure can help improve the efficiency of existing systems. In this study, we propose SkipConvGAN - an extension of our prior work SkipConvNet. The proposed system's generator network tries to estimate an efficient complex time-frequency mask, while the discriminator network aids in driving the generator to restore the lost formant structure. We evaluate the performance of our proposed system on simulated and real recordings of reverberant speech from the single-channel task of the REVERB challenge corpus. The proposed system shows a consistent improvement across multiple room configurations over other deep learning-based generative adversarial frameworks.  ( 2 min )

Non-independent and identically distributed (non-IID) data is a key challenge in federated learning (FL), which usually hampers the optimization convergence and the performance of FL. Existing data augmentation methods based on federated generative models or raw data sharing strategies for solving the non-IID problem still suffer from low performance, privacy protection concerns, and high communication overhead in decentralized tabular data. To tackle these challenges, we propose a federated tabular data augmentation method, named Fed-TDA. The core idea of Fed-TDA is to synthesize tabular data for data augmentation using some simple statistics (e.g., distributions of each column and global covariance). Specifically, we propose the multimodal distribution transformation and inverse cumulative distribution mapping respectively synthesize continuous and discrete columns in tabular data from a noise according to the pre-learned statistics. Furthermore, we theoretically analyze that our Fed-TDA not only preserves data privacy but also maintains the distribution of the original data and the correlation between columns. Through extensive experiments on five real-world tabular datasets, we demonstrate the superiority of Fed-TDA over the state-of-the-art in test performance and communication efficiency.

State-of-the-art algorithms for Approximate Nearest Neighbor Search (ANNS) such as DiskANN, FAISS-IVF, and HNSW build data dependent indices that offer substantially better accuracy and search efficiency over data-agnostic indices by overfitting to the index data distribution. When the query data is drawn from a different distribution - e.g., when index represents image embeddings and query represents textual embeddings - such algorithms lose much of this performance advantage. On a variety of datasets, for a fixed recall target, latency is worse by an order of magnitude or more for Out-Of-Distribution (OOD) queries as compared to In-Distribution (ID) queries. The question we address in this work is whether ANNS algorithms can be made efficient for OOD queries if the index construction is given access to a small sample set of these queries. We answer positively by presenting OOD-DiskANN, which uses a sparing sample (1% of index set size) of OOD queries, and provides up to 40% improvement in mean query latency over SoTA algorithms of a similar memory footprint. OOD-DiskANN is scalable and has the efficiency of graph-based ANNS indices. Some of our contributions can improve query efficiency for ID queries as well.

Decision tree optimization is notoriously difficult from a computational perspective but essential for the field of interpretable machine learning. Despite efforts over the past 40 years, only recently have optimization breakthroughs been made that have allowed practical algorithms to find optimal decision trees. These new techniques have the potential to trigger a paradigm shift where it is possible to construct sparse decision trees to efficiently optimize a variety of objective functions without relying on greedy splitting and pruning heuristics that often lead to suboptimal solutions. The contribution in this work is to provide a general framework for decision tree optimization that addresses the two significant open problems in the area: treatment of imbalanced data and fully optimizing over continuous variables. We present techniques that produce optimal decision trees over a variety of objectives including F-score, AUC, and partial area under the ROC convex hull. We also introduce a scalable algorithm that produces provably optimal results in the presence of continuous variables and speeds up decision tree construction by several orders of magnitude relative to the state-of-the art.

A deep neural network using rectified linear units represents a continuous piecewise linear (CPWL) function and vice versa. Recent results in the literature estimated that the number of neurons needed to exactly represent any CPWL function grows exponentially with the number of pieces or exponentially in terms of the factorial of the number of distinct linear components. Moreover, such growth is amplified linearly with the input dimension. These existing results seem to indicate that the cost of representing a CPWL function is expensive. In this paper, we propose much tighter bounds and establish a polynomial time algorithm to find a network satisfying these bounds for any given CPWL function. We prove that the number of hidden neurons required to exactly represent any CPWL function is at most a quadratic function of the number of pieces. In contrast to all previous results, this upper bound is invariant to the input dimension. Besides the number of pieces, we also study the number of distinct linear components in CPWL functions. When such a number is also given, we prove that the quadratic complexity turns into bilinear, which implies a lower neural complexity because the number of distinct linear components is always not greater than the minimum number of pieces in a CPWL function. When the number of pieces is unknown, we prove that, in terms of the number of distinct linear components, the neural complexity of any CPWL function is at most polynomial growth for low-dimensional inputs and factorial growth for the worst-case scenario, which are significantly better than existing results in the literature.

Recent years have witnessed remarkable advances in spatiotemporal predictive learning, incorporating auxiliary inputs, elaborate neural architectures, and sophisticated training strategies. Although impressive, the system complexity of mainstream methods is increasing as well, which may hinder the convenient applications. This paper proposes SimVP, a simple spatiotemporal predictive baseline model that is completely built upon convolutional networks without recurrent architectures and trained by common mean squared error loss in an end-to-end fashion. Without introducing any extra tricks and strategies, SimVP can achieve superior performance on various benchmark datasets. To further improve the performance, we derive variants with the gated spatiotemporal attention translator from SimVP that can achieve better performance. We demonstrate that SimVP has strong generalization and extensibility on real-world datasets through extensive experiments. The significant reduction in training cost makes it easier to scale to complex scenarios. We believe SimVP can serve as a solid baseline to benefit the spatiotemporal predictive learning community.  ( 2 min )

This paper examines the robustness of deployed few-shot meta-learning systems when they are fed an imperceptibly perturbed few-shot dataset. We attack amortized meta-learners, which allows us to craft colluding sets of inputs that are tailored to fool the system's learning algorithm when used as training data. Jointly crafted adversarial inputs might be expected to synergistically manipulate a classifier, allowing for very strong data-poisoning attacks that would be hard to detect. We show that in a white box setting, these attacks are very successful and can cause the target model's predictions to become worse than chance. However, in opposition to the well-known transferability of adversarial examples in general, the colluding sets do not transfer well to different classifiers. We explore two hypotheses to explain this: 'overfitting' by the attack, and mismatch between the model on which the attack is generated and that to which the attack is transferred. Regardless of the mitigation strategies suggested by these hypotheses, the colluding inputs transfer no better than adversarial inputs that are generated independently in the usual way.

Despite recent advances in implicit neural representations (INRs), it remains challenging for a coordinate-based multi-layer perceptron (MLP) of INRs to learn a common representation across data instances and generalize it for unseen instances. In this work, we introduce a simple yet effective framework for generalizable INRs that enables a coordinate-based MLP to represent complex data instances by modulating only a small set of weights in an early MLP layer as an instance pattern composer; the remaining MLP weights learn pattern composition rules for common representations across instances. Our generalizable INR framework is fully compatible with existing meta-learning and hypernetworks in learning to predict the modulated weight for unseen instances. Extensive experiments demonstrate that our method achieves high performance on a wide range of domains such as an audio, image, and 3D object, while the ablation study validates our weight modulation.

Exemplar-free class-incremental learning is very challenging due to the negative effect of catastrophic forgetting. A balance between stability and plasticity of the incremental process is needed in order to obtain good accuracy for past as well as new classes. Existing exemplar-free class-incremental methods focus either on successive fine tuning of the model, thus favoring plasticity, or on using a feature extractor fixed after the initial incremental state, thus favoring stability. We introduce a method which combines a fixed feature extractor and a pseudo-features generator to improve the stability-plasticity balance. The generator uses a simple yet effective geometric translation of new class features to create representations of past classes, made of pseudo-features. The translation of features only requires the storage of the centroid representations of past classes to produce their pseudo-features. Actual features of new classes and pseudo-features of past classes are fed into a linear classifier which is trained incrementally to discriminate between all classes. The incremental process is much faster with the proposed method compared to mainstream ones which update the entire deep model. Experiments are performed with three challenging datasets, and different incremental settings. A comparison with ten existing methods shows that our method outperforms the others in most cases.

We propose SnCQA, a set of hardware-efficient variational circuits of equivariant quantum convolutional circuits respective to permutation symmetries and spatial lattice symmetries with the number of qubits $n$. By exploiting permutation symmetries of the system, such as lattice Hamiltonians common to many quantum many-body and quantum chemistry problems, Our quantum neural networks are suitable for solving machine learning problems where permutation symmetries are present, which could lead to significant savings of computational costs. Aside from its theoretical novelty, we find our simulations perform well in practical instances of learning ground states in quantum computational chemistry, where we could achieve comparable performances to traditional methods with few tens of parameters. Compared to other traditional variational quantum circuits, such as the pure hardware-efficient ansatz (pHEA), we show that SnCQA is more scalable, accurate, and noise resilient (with $20\times$ better performance on $3 \times 4$ square lattice and $200\% - 1000\%$ resource savings in various lattice sizes and key criterions such as the number of layers, parameters, and times to converge in our cases), suggesting a potentially favorable experiment on near-time quantum devices.

We describe the results of applying causal discovery methods on the data from a multi-site clinical trial, on the Treatment of Preserved Cardiac Function Heart Failure with an Aldosterone Antagonist (TOPCAT). The trial was inconclusive, with no clear benefits consistently shown for the whole cohort. However, there were questions regarding the reliability of the diagnosis and treatment protocol for a geographic subgroup of the cohort. With the inclusion of medical context in the form of domain knowledge, causal discovery is used to demonstrate regional discrepancies and to frame the regional transportability of the results. Furthermore, we show that, globally and especially for some subgroups, the treatment has significant causal effects, thus offering a more refined view of the trial results.  ( 2 min )

Generative models based on denoising diffusion techniques have led to an unprecedented increase in the quality and diversity of imagery that is now possible to create with neural generative models. However, most contemporary state-of-the-art methods are derived from a standard isotropic Gaussian formulation. In this work we examine the situation where non-isotropic Gaussian distributions are used. We present the key mathematical derivations for creating denoising diffusion models using an underlying non-isotropic Gaussian noise model. We also provide initial experiments with the CIFAR-10 dataset to help verify empirically that this more general modeling approach can also yield high-quality samples.

A recent emphasis of distributed learning research has been on federated learning (FL), in which model training is conducted by the data-collecting devices. Existing research on FL has mostly focused on a star topology learning architecture with synchronized (time-triggered) model training rounds, where the local models of the devices are periodically aggregated by a centralized coordinating node. However, in many settings, such a coordinating node may not exist, motivating efforts to fully decentralize FL. In this work, we propose a novel methodology for distributed model aggregations via asynchronous, event-triggered consensus iterations over the network graph topology. We consider heterogeneous communication event thresholds at each device that weigh the change in local model parameters against the available local resources in deciding the benefit of aggregations at each iteration. Through theoretical analysis, we demonstrate that our methodology achieves asymptotic convergence to the globally optimal learning model under standard assumptions in distributed learning and graph consensus literature, and without restrictive connectivity requirements on the underlying topology. Subsequent numerical results demonstrate that our methodology obtains substantial improvements in communication requirements compared with FL baselines.  ( 2 min )

This paper studies how to train machine-learning models that directly approximate the optimal solutions of constrained optimization problems. This is an empirical risk minimization under constraints, which is challenging as training must balance optimality and feasibility conditions. Supervised learning methods often approach this challenge by training the model on a large collection of pre-solved instances. This paper takes a different route and proposes the idea of Primal-Dual Learning (PDL), a self-supervised training method that does not require a set of pre-solved instances or an optimization solver for training and inference. Instead, PDL mimics the trajectory of an Augmented Lagrangian Method (ALM) and jointly trains primal and dual neural networks. Being a primal-dual method, PDL uses instance-specific penalties of the constraint terms in the loss function used to train the primal network. Experiments show that, on a set of nonlinear optimization benchmarks, PDL typically exhibits negligible constraint violations and minor optimality gaps, and is remarkably close to the ALM optimization. PDL also demonstrated improved or similar performance in terms of the optimality gaps, constraint violations, and training times compared to existing approaches.  ( 2 min )

Model-based deep learning has achieved astounding successes due in part to the availability of large-scale realworld data. However, processing such massive amounts of data comes at a considerable cost in terms of computations, storage, training and the search for good neural architectures. Dataset distillation has thus recently come to the fore. This paradigm involves distilling information from large real-world datasets into tiny and compact synthetic datasets such that processing the latter yields similar performances as the former. State-of-the-art methods primarily rely on learning the synthetic dataset by matching the gradients obtained during training between the real and synthetic data. However, these gradient-matching methods suffer from the accumulated trajectory error caused by the discrepancy between the distillation and subsequent evaluation. To alleviate the adverse impact of this accumulated trajectory error, we propose a novel approach that encourages the optimization algorithm to seek a flat trajectory. We show that the weights trained on synthetic data are robust against the accumulated errors perturbations with the regularization towards the flat trajectory. Our method, called Flat Trajectory Distillation (FTD), is shown to boost the performance of gradient-matching methods by up to 4.7% on a subset of images of the ImageNet dataset with higher resolution images. We also validate the effectiveness and generalizability of our method with datasets of different resolutions and demonstrate its applicability to neural architecture search.

Bit-stream recognition (BSR) has many applications, such as forensic investigations, detection of copyright infringement, and malware analysis. We propose the first BSR that takes a bare input bit-stream and outputs a class label without any preprocessing. To achieve our goal, we propose a centrifuge mechanism, where the upstream layers (sub-net) capture global features and tell the downstream layers (main-net) to switch the focus, even if a part of the input bit-stream has the same value. We applied the centrifuge mechanism to compiler provenance recovery, a type of BSR, and achieved excellent classification. Additionally, downstream transfer learning (DTL), one of the learning methods we propose for the centrifuge mechanism, pre-trains the main-net using the sub-net's ground truth instead of the sub-net's output. We found that sub-predictions made by DTL tend to be highly accurate when the sub-label classification contributes to the essence of the main prediction.

We are interested in learning scalable agents for reinforcement learning that can learn from large-scale, diverse sequential data similar to current large vision and language models. To this end, this paper presents masked decision prediction (MaskDP), a simple and scalable self-supervised pretraining method for reinforcement learning (RL) and behavioral cloning (BC). In our MaskDP approach, we employ a masked autoencoder (MAE) to state-action trajectories, wherein we randomly mask state and action tokens and reconstruct the missing data. By doing so, the model is required to infer masked-out states and actions and extract information about dynamics. We find that masking different proportions of the input sequence significantly helps with learning a better model that generalizes well to multiple downstream tasks. In our empirical study, we find that a MaskDP model gains the capability of zero-shot transfer to new BC tasks, such as single and multiple goal reaching, and it can zero-shot infer skills from a few example transitions. In addition, MaskDP transfers well to offline RL and shows promising scaling behavior w.r.t. to model size. It is amenable to data-efficient finetuning, achieving competitive results with prior methods based on autoregressive pretraining.

Continual learning (CL) is an emerging learning paradigm that aims to emulate the human capability of learning and accumulating knowledge continually without forgetting the previously learned knowledge and also transferring the knowledge to new tasks to learn them better. This survey presents a comprehensive review of the recent progress of CL in the NLP field. It covers (1) all CL settings with a taxonomy of existing techniques. Besides dealing with forgetting, it also focuses on (2) knowledge transfer, which is of particular importance to NLP. Both (1) and (2) are not mentioned in the existing survey. Finally, a list of future directions is also discussed.

We study the scaling limits of stochastic gradient descent (SGD) with constant step-size in the high-dimensional regime. We prove limit theorems for the trajectories of summary statistics (i.e., finite-dimensional functions) of SGD as the dimension goes to infinity. Our approach allows one to choose the summary statistics that are tracked, the initialization, and the step-size. It yields both ballistic (ODE) and diffusive (SDE) limits, with the limit depending dramatically on the former choices. We show a critical scaling regime for the step-size, below which the effective ballistic dynamics matches gradient flow for the population loss, but at which, a new correction term appears which changes the phase diagram. About the fixed points of this effective dynamics, the corresponding diffusive limits can be quite complex and even degenerate. We demonstrate our approach on popular examples including estimation for spiked matrix and tensor models and classification via two-layer networks for binary and XOR-type Gaussian mixture models. These examples exhibit surprising phenomena including multimodal timescales to convergence as well as convergence to sub-optimal solutions with probability bounded away from zero from random (e.g., Gaussian) initializations. At the same time, we demonstrate the benefit of overparametrization by showing that the latter probability goes to zero as the second layer width grows.

An electroencephalogram (EEG) signal is currently accepted as a standard for automatic sleep staging. Lately, Near-human accuracy in automated sleep staging has been achievable by Deep Learning (DL) based approaches, enabling multi-fold progress in this area. However, An extensive and expensive clinical setup is required for EEG based sleep staging. Additionally, the EEG setup being obtrusive in nature and requiring an expert for setup adds to the inconvenience of the subject under study, making it adverse in the point of care setting. An unobtrusive and more suitable alternative to EEG is Electrocardiogram (ECG). Unsurprisingly, compared to EEG in sleep staging, its performance remains sub-par. In order to take advantage of both the modalities, transferring knowledge from EEG to ECG is a reasonable approach, ultimately boosting the performance of ECG based sleep staging. Knowledge Distillation (KD) is a promising notion in DL that shares knowledge from a superior performing but usually more complex teacher model to an inferior but compact student model. Building upon this concept, a cross-modality KD framework assisting features learned through models trained on EEG to improve ECG-based sleep staging performance is proposed. Additionally, to better understand the distillation approach, extensive experimentation on the independent modules of the proposed model was conducted. Montreal Archive of Sleep Studies (MASS) dataset consisting of 200 subjects was utilized for this study. The results from the proposed model for weighted-F1-score in 3-class and 4-class sleep staging showed a 13.40 \% and 14.30 \% improvement, respectively. This study demonstrates the feasibility of KD for single-channel ECG based sleep staging's performance enhancement in 3-class (W-R-N) and 4-class (W-R-L-D) classification.

Probabilistic circuits (PCs) are a tractable representation of probability distributions allowing for exact and efficient computation of likelihoods and marginals. There has been significant recent progress on improving the scale and expressiveness of PCs. However, PC training performance plateaus as model size increases. We discover that most capacity in existing large PC structures is wasted: fully-connected parameter layers are only sparsely used. We propose two operations: pruning and growing, that exploit the sparsity of PC structures. Specifically, the pruning operation removes unimportant sub-networks of the PC for model compression and comes with theoretical guarantees. The growing operation increases model capacity by increasing the size of the latent space. By alternatingly applying pruning and growing, we increase the capacity that is meaningfully used, allowing us to significantly scale up PC learning. Empirically, our learner achieves state-of-the-art likelihoods on MNIST-family image datasets and on Penn Tree Bank language data compared to other PC learners and less tractable deep generative models such as flow-based models and variational autoencoders (VAEs).

Socratic questioning is an educational method that allows students to discover answers to complex problems by asking them a series of thoughtful questions. Generation of didactically sound questions is challenging, requiring understanding of the reasoning process involved in the problem. We hypothesize that such questioning strategy can not only enhance the human performance, but also assist the math word problem (MWP) solvers. In this work, we explore the ability of large language models (LMs) in generating sequential questions for guiding math word problem-solving. We propose various guided question generation schemes based on input conditioning and reinforcement learning. On both automatic and human quality evaluations, we find that LMs constrained with desirable question properties generate superior questions and improve the overall performance of a math word problem solver. We conduct a preliminary user study to examine the potential value of such question generation models in the education domain. Results suggest that the difficulty level of problems plays an important role in determining whether questioning improves or hinders human performance. We discuss the future of using such questioning strategies in education.

Understanding how changes in training data affect a trained model is critical to building trust in various stages of a machine learning pipeline: from cleaning poor-quality samples and tracking important ones to be collected during data preparation, to calibrating uncertainty of model prediction, to interpreting why certain behaviors of a model emerge during deployment. In this paper, we present a framework, Data2Model, for predicting the output model of a learning algorithm given the input data points. Specifically, Data2Model learns a parameterized function that takes a dataset $S$ as the input and predicts the model obtained by training on $S$. Despite the potential complexity of the underlying end-to-end training process being approximated, we show that a neural network-based set function class can successfully predict the trained model from its training data. We introduce novel global and local regularization techniques for preventing overfitting and rigorously characterize the expressive power of neural networks (NN) in approximating the end-to-end training process. We perform extensive empirical investigations and demonstrate that Data2Model gives rise to a wide range of applications that boost the interpretability and accountability of machine learning (ML), such as data valuation, data selection, memorization quantification, and model calibration.

We consider the general problem of recovering a high-dimensional signal from noisy quantized measurements. Quantization, especially coarse quantization such as one-bit sign measurements, leads to severe information loss and thus a good prior knowledge of the unknown signal is helpful for accurate recovery. Motivated by the power of score-based generative models (SGM, also known as diffusion models) in capturing the rich structure of natural signals beyond simple sparsity, we propose an unsupervised data-driven approach called quantized compressed sensing with SGM (QCS-SGM), where the prior distribution is modeled by a pre-trained SGM. To perform posterior sampling, an annealed pseudo-likelihood score called noise perturbed pseudo-likelihood score is introduced and combined with the prior score of SGM. The proposed QCS-SGM applies to arbitrary number of quantization bits. Experiments on a variety of baseline datasets demonstrate that the proposed QCS-SGM significantly outperforms existing state-of-the-art algorithms by a large margin for both in-distribution and out-of-distribution samples. Moreover, as a posterior sampling method, QCS-SGM can be easily used to obtain confidence intervals or uncertainty estimates of the reconstructed results. The code for the experiments will be open-sourced at https://github.com/mengxiangming/QCS-SGM upon future publication.

Normalization is an important but understudied challenge in privacy-related application domains such as federated learning (FL), differential privacy (DP), and differentially private federated learning (DP-FL). While the unsuitability of batch normalization for these domains has already been shown, the impact of other normalization methods on the performance of federated or differentially private models is not well-known. To address this, we draw a performance comparison among layer normalization (LayerNorm), group normalization (GroupNorm), and the recently proposed kernel normalization (KernelNorm) in FL, DP, and DP-FL settings. Our results indicate LayerNorm and GroupNorm provide no performance gain compared to the baseline (i.e. no normalization) for shallow models in FL and DP. They, on the other hand, considerably enhance the performance of shallow models in DP-FL and deeper models in FL and DP. KernelNorm, moreover, significantly outperforms its competitors in terms of accuracy and convergence rate (or communication efficiency) for both shallow and deeper models in all considered learning environments. Given these key observations, we propose a kernel normalized ResNet architecture called KNResNet-13 for differentially private learning. Using the proposed architecture, we provide new state-of-the-art accuracy values on the CIFAR-10 and Imagenette datasets, when trained from scratch.

Attack Ensemble (AE), which combines multiple attacks together, provides a reliable way to evaluate adversarial robustness. In practice, AEs are often constructed and tuned by human experts, which however tends to be sub-optimal and time-consuming. In this work, we present AutoAE, a conceptually simple approach for automatically constructing AEs. In brief, AutoAE repeatedly adds the attack and its iteration steps to the ensemble that maximizes ensemble improvement per additional iteration consumed. We show theoretically that AutoAE yields AEs provably within a constant factor of the optimal for a given defense. We then use AutoAE to construct two AEs for $l_{\infty}$ and $l_2$ attacks, and apply them without any tuning or adaptation to 45 top adversarial defenses on the RobustBench leaderboard. In all except one cases we achieve equal or better (often the latter) robustness evaluation than existing AEs, and notably, in 29 cases we achieve better robustness evaluation than the best known one. Such performance of AutoAE shows itself as a reliable evaluation protocol for adversarial robustness, which further indicates the huge potential of automatic AE construction. Code is available at \url{https://github.com/LeegerPENG/AutoAE}.  ( 2 min )

Despite the great impact of lies in human societies and a meager 54% human accuracy for Deception Detection (DD), Machine Learning systems that perform automated DD are still not viable for proper application in real-life settings due to data scarcity. Few publicly available DD datasets exist and the creation of new datasets is hindered by the conceptual distinction between low-stakes and high-stakes lies. Theoretically, the two kinds of lies are so distinct that a dataset of one kind could not be used for applications for the other kind. Even though it is easier to acquire data on low-stakes deception since it can be simulated (faked) in controlled settings, these lies do not hold the same significance or depth as genuine high-stakes lies, which are much harder to obtain and hold the practical interest of automated DD systems. To investigate whether this distinction holds true from a practical perspective, we design several experiments comparing a high-stakes DD dataset and a low-stakes DD dataset evaluating their results on a Deep Learning classifier working exclusively from video data. In our experiments, a network trained in low-stakes lies had better accuracy classifying high-stakes deception than low-stakes, although using low-stakes lies as an augmentation strategy for the high-stakes dataset decreased its accuracy.

Exploration is a key challenge in Reinforcement Learning, especially in long-horizon, deceptive and sparse-reward environments. For such applications, population-based approaches have proven effective. Methods such as Quality-Diversity deals with this by encouraging novel solutions and producing a diversity of behaviours. However, these methods are driven by either undirected sampling (i.e. mutations) or use approximated gradients (i.e. Evolution Strategies) in the parameter space, which makes them highly sample-inefficient. In this paper, we propose a model-based Quality-Diversity approach. It extends existing QD methods to use gradients for efficient exploitation and leverage perturbations in imagination for efficient exploration. Our approach optimizes all members of a population simultaneously to maintain both performance and diversity efficiently by leveraging the effectiveness of QD algorithms as good data generators to train deep models. We demonstrate that it maintains the divergent search capabilities of population-based approaches on tasks with deceptive rewards while significantly improving their sample efficiency and quality of solutions.

We study the problem of graph structure identification, i.e., of recovering the graph of dependencies among time series. We model these time series data as components of the state of linear stochastic networked dynamical systems. We assume partial observability, where the state evolution of only a subset of nodes comprising the network is observed. We devise a new feature vector computed from the observed time series and prove that these features are linearly separable, i.e., there exists a hyperplane that separates the cluster of features associated with connected pairs of nodes from those associated with disconnected pairs. This renders the features amenable to train a variety of classifiers to perform causal inference. In particular, we use these features to train Convolutional Neural Networks (CNNs). The resulting causal inference mechanism outperforms state-of-the-art counterparts w.r.t. sample-complexity. The trained CNNs generalize well over structurally distinct networks (dense or sparse) and noise-level profiles. Remarkably, they also generalize well to real-world networks while trained over a synthetic network (realization of a random graph). Finally, the proposed method consistently reconstructs the graph in a pairwise manner, that is, by deciding if an edge or arrow is present or absent in each pair of nodes, from the corresponding time series of each pair. This fits the framework of large-scale systems, where observation or processing of all nodes in the network is prohibitive.

One-shot neural architecture search (NAS) substantially improves the search efficiency by training one supernet to estimate the performance of every possible child architecture (i.e., subnet). However, the inconsistency of characteristics among subnets incurs serious interference in the optimization, resulting in poor performance ranking correlation of subnets. Subsequent explorations decompose supernet weights via a particular criterion, e.g., gradient matching, to reduce the interference; yet they suffer from huge computational cost and low space separability. In this work, we propose a lightweight and effective local intrinsic dimension (LID)-based method NAS-LID. NAS-LID evaluates the geometrical properties of architectures by calculating the low-cost LID features layer-by-layer, and the similarity characterized by LID enjoys better separability compared with gradients, which thus effectively reduces the interference among subnets. Extensive experiments on NASBench-201 indicate that NAS-LID achieves superior performance with better efficiency. Specifically, compared to the gradient-driven method, NAS-LID can save up to 86% of GPU memory overhead when searching on NASBench-201. We also demonstrate the effectiveness of NAS-LID on ProxylessNAS and OFA spaces. Source code:https://github.com/marsggbo/NAS-LID.

As one of the central tasks in machine learning, regression finds lots of applications in different fields. An existing common practice for solving regression problems is the mean square error (MSE) minimization approach or its regularized variants which require prior knowledge about the models. Recently, Yi et al., proposed a mutual information based supervised learning framework where they introduced a label entropy regularization which does not require any prior knowledge. When applied to classification tasks and solved via a stochastic gradient descent (SGD) optimization algorithm, their approach achieved significant improvement over the commonly used cross entropy loss and its variants. However, they did not provide a theoretical convergence analysis of the SGD algorithm for the proposed formulation. Besides, applying the framework to regression tasks is nontrivial due to the potentially infinite support set of the label. In this paper, we investigate the regression under the mutual information based supervised learning framework. We first argue that the MSE minimization approach is equivalent to a conditional entropy learning problem, and then propose a mutual information learning formulation for solving regression problems by using a reparameterization technique. For the proposed formulation, we give the convergence analysis of the SGD algorithm for solving it in practice. Finally, we consider a multi-output regression data model where we derive the generalization performance lower bound in terms of the mutual information associated with the underlying data distribution. The result shows that the high dimensionality can be a bless instead of a curse, which is controlled by a threshold. We hope our work will serve as a good starting point for further research on the mutual information based regression.

The goal of automated feature generation is to liberate machine learning experts from the laborious task of manual feature generation, which is crucial for improving the learning performance of tabular data. The major challenge in automated feature generation is to efficiently and accurately identify useful features from a vast pool of candidate features. In this paper, we present OpenFE, an automated feature generation tool that provides competitive results against machine learning experts. OpenFE achieves efficiency and accuracy with two components: 1) a novel feature boosting method for accurately estimating the incremental performance of candidate features. 2) a feature-scoring framework for retrieving effective features from a large number of candidates through successive featurewise halving and feature importance attribution. Extensive experiments on seven benchmark datasets show that OpenFE outperforms existing baseline methods. We further evaluate OpenFE in two famous Kaggle competitions with thousands of data science teams participating. In one of the competitions, features generated by OpenFE with a simple baseline model can beat 99.3\% data science teams. In addition to the empirical results, we provide a theoretical perspective to show that feature generation is beneficial in a simple yet representative setting. The code is available at https://github.com/ZhangTP1996/OpenFE.

We present a system for anomaly detection in histopathological images. In histology, normal samples are usually abundant, whereas anomalous (pathological) cases are scarce or not available. Under such settings, one-class classifiers trained on healthy data can detect out-of-distribution anomalous samples. Such approaches combined with pre-trained Convolutional Neural Network (CNN) representations of images were previously employed for anomaly detection (AD). However, pre-trained off-the-shelf CNN representations may not be sensitive to abnormal conditions in tissues, while natural variations of healthy tissue may result in distant representations. To adapt representations to relevant details in healthy tissue we propose training a CNN on an auxiliary task that discriminates healthy tissue of different species, organs, and staining reagents. Almost no additional labeling workload is required, since healthy samples come automatically with aforementioned labels. During training we enforce compact image representations with a center-loss term, which further improves representations for AD. The proposed system outperforms established AD methods on a published dataset of liver anomalies. Moreover, it provided comparable results to conventional methods specifically tailored for quantification of liver anomalies. We show that our approach can be used for toxicity assessment of candidate drugs at early development stages and thereby may reduce expensive late-stage drug attrition.

Multi-armed bandit algorithms like Thompson Sampling (TS) can be used to conduct adaptive experiments, in which maximizing reward means that data is used to progressively assign participants to more effective arms. Such assignment strategies increase the risk of statistical hypothesis tests identifying a difference between arms when there is not one, and failing to conclude there is a difference in arms when there truly is one. We tackle this by introducing a novel heuristic algorithm, called TS-PostDiff (Posterior Probability of Difference). TS-PostDiff takes a Bayesian approach to mixing TS and Uniform Random (UR): the probability a participant is assigned using UR allocation is the posterior probability that the difference between two arms is 'small' (below a certain threshold), allowing for more UR exploration when there is little or no reward to be gained. We evaluate TS-PostDiff against state-of-the-art strategies. The empirical and simulation results help characterize the trade-offs of these approaches between reward, False Positive Rate (FPR), and statistical power, as well as under which circumstances each is effective. We quantify the advantage of TS-PostDiff in performing well across multiple differences in arm means (effect sizes), showing the benefits of adaptively changing randomization/exploration in TS in a "Statistically Considerate" manner: reducing FPR and increasing statistical power when differences are small or zero and there is less reward to be gained, while exploiting more when differences may be large. This highlights important considerations for future algorithm development and analysis to better balance reward and statistical analysis.

While several types of post hoc explanation methods (e.g., feature attribution methods) have been proposed in recent literature, there is little to no work on systematically benchmarking these methods in an efficient and transparent manner. Here, we introduce OpenXAI, a comprehensive and extensible open source framework for evaluating and benchmarking post hoc explanation methods. OpenXAI comprises of the following key components: (i) a flexible synthetic data generator and a collection of diverse real-world datasets, pre-trained models, and state-of-the-art feature attribution methods, (ii) open-source implementations of twenty-two quantitative metrics for evaluating faithfulness, stability (robustness), and fairness of explanation methods, and (iii) the first ever public XAI leaderboards to benchmark explanations. OpenXAI is easily extensible, as users can readily evaluate custom explanation methods and incorporate them into our leaderboards. Overall, OpenXAI provides an automated end-to-end pipeline that not only simplifies and standardizes the evaluation of post hoc explanation methods, but also promotes transparency and reproducibility in benchmarking these methods. OpenXAI datasets and data loaders, implementations of state-of-the-art explanation methods and evaluation metrics, as well as leaderboards are publicly available at https://open-xai.github.io/.

We empirically demonstrate that full-batch gradient descent on neural network training objectives typically operates in a regime we call the Edge of Stability. In this regime, the maximum eigenvalue of the training loss Hessian hovers just above the numerical value $2 / \text{(step size)}$, and the training loss behaves non-monotonically over short timescales, yet consistently decreases over long timescales. Since this behavior is inconsistent with several widespread presumptions in the field of optimization, our findings raise questions as to whether these presumptions are relevant to neural network training. We hope that our findings will inspire future efforts aimed at rigorously understanding optimization at the Edge of Stability. Code is available at https://github.com/locuslab/edge-of-stability.

As machine learning models increasingly replace traditional business logic in the production system, their lifecycle management is becoming a significant concern. Once deployed into production, the machine learning models are constantly evaluated on new streaming data. Given the continuous data flow, shifting data, also known as concept drift, is ubiquitous in such settings. Concept drift usually impacts the performance of machine learning models, thus, identifying the moment when concept drift occurs is required. Concept drift is identified through concept drift detectors. In this work, we assess the reliability of concept drift detectors to identify drift in time by exploring how late are they reporting drifts and how many false alarms are they signaling. We compare the performance of the most popular drift detectors belonging to two different concept drift detector groups, error rate-based detectors and data distribution-based detectors. We assess their performance on both synthetic and real-world data. In the case of synthetic data, we investigate the performance of detectors to identify two types of concept drift, abrupt and gradual. Our findings aim to help practitioners understand which drift detector should be employed in different situations and, to achieve this, we share a list of the most important observations made throughout this study, which can serve as guidelines for practical usage. Furthermore, based on our empirical results, we analyze the suitability of each concept drift detection group to be used as alarming system.

We begin the study of list-decodable linear regression using batches. In this setting only an $\alpha \in (0,1]$ fraction of the batches are genuine. Each genuine batch contains $\ge n$ i.i.d. samples from a common unknown distribution and the remaining batches may contain arbitrary or even adversarial samples. We derive a polynomial time algorithm that for any $n\ge \tilde \Omega(1/\alpha)$ returns a list of size $\mathcal O(1/\alpha^2)$ such that one of the items in the list is close to the true regression parameter. The algorithm requires only $\tilde{\mathcal{O}}(d/\alpha^2)$ genuine batches and works under fairly general assumptions on the distribution. The results demonstrate the utility of batch structure, which allows for the first polynomial time algorithm for list-decodable regression, which may be impossible for the non-batch setting, as suggested by a recent SQ lower bound \cite{diakonikolas2021statistical} for the non-batch setting.

Given enough annotated training data, 3D human pose estimation models can achieve high accuracy. However, annotations are not always available, especially for people performing unusual activities. In this paper, we propose an algorithm that learns to detect 3D keypoints on human bodies from multiple-views without any supervision other than the constraints multiple-view geometry provides. To ensure that the estimated 3D keypoints are meaningful, they are re-projected to each view to estimate the person's mask that the model itself has initially estimated. Our approach outperforms other state-of-the-art unsupervised 3D human pose estimation methods on the Human3.6M and MPI-INF-3DHP benchmark datasets.

Label noise and class imbalance commonly coexist in real-world data. Previous works for robust learning, however, usually address either one type of the data biases and underperform when facing them both. To mitigate this gap, this work presents a novel meta-learning based dynamic loss that automatically adjusts the objective functions with the training process to robustly learn a classifier from long-tailed noisy data. Concretely, our dynamic loss comprises a label corrector and a margin generator, which respectively correct noisy labels and generate additive per-class classification margins by perceiving the underlying data distribution as well as the learning state of the classifier. Equipped with a new hierarchical sampling strategy that enriches a small amount of unbiased metadata with diverse and hard samples, the two components in the dynamic loss are optimized jointly through meta-learning and cultivate the classifier to well adapt to clean and balanced test data. Extensive experiments show our method achieves state-of-the-art accuracy on multiple real-world and synthetic datasets with various types of data biases, including CIFAR-10/100, Animal-10N, ImageNet-LT, and Webvision. Code will soon be publicly available.

Agent-Based Models (ABMs) are used in several fields to study the evolution of complex systems from micro-level assumptions. However, ABMs typically can not estimate agent-specific (or "micro") variables: this is a major limitation which prevents ABMs from harnessing micro-level data availability and which greatly limits their predictive power. In this paper, we propose a protocol to learn the latent micro-variables of an ABM from data. The first step of our protocol is to reduce an ABM to a probabilistic model, characterized by a computationally tractable likelihood. This reduction follows two general design principles: balance of stochasticity and data availability, and replacement of unobservable discrete choices with differentiable approximations. Then, our protocol proceeds by maximizing the likelihood of the latent variables via a gradient-based expectation maximization algorithm. We demonstrate our protocol by applying it to an ABM of the housing market, in which agents with different incomes bid higher prices to live in high-income neighborhoods. We demonstrate that the obtained model allows accurate estimates of the latent variables, while preserving the general behavior of the ABM. We also show that our estimates can be used for out-of-sample forecasting. Our protocol can be seen as an alternative to black-box data assimilation methods, that forces the modeler to lay bare the assumptions of the model, to think about the inferential process, and to spot potential identification problems.

Heterogeneous graph neural networks (HGNNs) were proposed for representation learning on structural data with multiple types of nodes and edges. Researchers have developed metapath-based HGNNs to deal with the over-smoothing problem of relation-based HGNNs. However, existing metapath-based models suffer from either information loss or high computation costs. To address these problems, we design a new Metapath Context Convolution-based Heterogeneous Graph Neural Network (MECCH). Specifically, MECCH applies three novel components after feature preprocessing to extract comprehensive information from the input graph efficiently: (1) metapath context construction, (2) metapath context encoder, and (3) convolutional metapath fusion. Experiments on five real-world heterogeneous graph datasets for node classification and link prediction show that MECCH achieves superior prediction accuracy compared with state-of-the-art baselines with improved computational efficiency.

The 21 cm spectral line emission of atomic neutral hydrogen (HI) is one of the primary wavelengths observed in radio astronomy. However, the signal is intrinsically faint and the HI content of galaxies depends on the cosmic environment, requiring large survey volumes and survey depth to investigate the HI Universe. As the amount of data coming from these surveys continues to increase with technological improvements, so does the need for automatic techniques for identifying and characterising HI sources while considering the tradeoff between completeness and purity. This study aimed to find the optimal pipeline for finding and masking the most sources with the best mask quality and the fewest artefacts in 3D neutral hydrogen cubes. Various existing methods were explored in an attempt to create a pipeline to optimally identify and mask the sources in 3D neutral hydrogen 21 cm spectral line data cubes. Two traditional source-finding methods were tested, SoFiA and MTObjects, as well as a new supervised deep learning approach, in which a 3D convolutional neural network architecture, known as V-Net was used. These three source-finding methods were further improved by adding a classical machine learning classifier as a post-processing step to remove false positive detections. The pipelines were tested on HI data cubes from the Westerbork Synthesis Radio Telescope with additional inserted mock galaxies. SoFiA combined with a random forest classifier provided the best results, with the V-Net-random forest combination a close second. We suspect this is due to the fact that there are many more mock sources in the training set than real sources. There is, therefore, room to improve the quality of the V-Net network with better-labelled data such that it can potentially outperform SoFiA.

This paper proposes a deep learning (DL) model for automatic sleep stage classification based on single-channel EEG data. The DL model features a convolutional neural network (CNN) and transformers. The model was designed to run on energy and memory-constrained devices for real-time operation with local processing. The Fpz-Cz EEG signals from a publicly available Sleep-EDF dataset are used to train and test the model. Four convolutional filter layers were used to extract features and reduce the data dimension. Then, transformers were utilized to learn the time-variant features of the data. To improve performance, we also implemented a subject specific training before the inference (i.e., prediction) stage. With the subject specific training, the F1 score was 0.91, 0.37, 0.84, 0.877, and 0.73 for wake, N1-N3, and rapid eye movement (REM) stages, respectively. The performance of the model was comparable to the state-of-the-art works with significantly greater computational costs. We tested a reduced-sized version of the proposed model on a low-cost Arduino Nano 33 BLE board and it was fully functional and accurate. In the future, a fully integrated wireless EEG sensor with edge DL will be developed for sleep research in pre-clinical and clinical experiments, such as real-time sleep modulation.

Differentially private stochastic gradient descent (DP-SGD) has been widely adopted in deep learning to provide rigorously defined privacy, which requires gradient clipping to bound the maximum norm of individual gradients and additive isotropic Gaussian noise. With analysis of the convergence rate of DP-SGD in a non-convex setting, we reveal that randomly sparsifying gradients before clipping and noisification adjusts a trade-off between internal components of the convergence bound and leads to a smaller upper bound when the noise is dominant. Additionally, our theoretical analysis and extensive empirical evaluations show that the trade-off is not trivial but possibly a unique property of DP-SGD, as either canceling noisification or gradient clipping removes the trade-off in the bound. Based on the analysis, we propose an efficient and lightweight approach of random sparsification (RS) for DP-SGD. Applying RS across various DP-SGD frameworks improves performance, while the produced sparse gradients of RS exhibit advantages in reducing communication cost and strengthening security against reconstruction attacks, which are also key problems in private machine learning.

We introduce Monte Carlo Forest Search (MCFS), an offline algorithm for automatically synthesizing strong tree-search solvers for proving \emph{unsatisfiability} on given distributions, leveraging ideas from the Monte Carlo Tree Search (MCTS) algorithm that led to breakthroughs in AlphaGo. The crucial difference between proving unsatisfiability and existing applications of MCTS, is that policies produce trees rather than paths. Rather than finding a good path (solution) within a tree, the search problem becomes searching for a small proof tree within a forest of candidate proof trees. We introduce two key ideas to adapt to this setting. First, we estimate tree size with paths, via the unbiased approximation from Knuth (1975). Second, we query a strong solver at a user-defined depth rather than learning a policy across the whole tree, in order to focus our policy search on early decisions, which offer the greatest potential for reducing tree size. We then present MCFS-SAT, an implementation of MCFS for learning branching policies for solving the Boolean satisfiability (SAT) problem that required many modifications from AlphaGo. We matched or improved performance over a strong baseline on two well-known SAT distributions (\texttt{sgen}, \texttt{random}). Notably, we improved running time by 9\% on \texttt{sgen} over the \texttt{kcnfs} solver and even further over the strongest UNSAT solver from the 2021 SAT competition.

Existing works on anomaly detection (AD) rely on clean labels from human annotators that are expensive to acquire in practice. In this work, we propose a method to leverage weak/noisy labels (e.g., risk scores generated by machine rules for detecting malware) that are cheaper to obtain for anomaly detection. Specifically, we propose ADMoE, the first framework for anomaly detection algorithms to learn from noisy labels. In a nutshell, ADMoE leverages mixture-of-experts (MoE) architecture to encourage specialized and scalable learning from multiple noisy sources. It captures the similarities among noisy labels by sharing most model parameters, while encouraging specialization by building "expert" sub-networks. To further juice out the signals from noisy labels, ADMoE uses them as input features to facilitate expert learning. Extensive results on eight datasets (including a proprietary enterprise security dataset) demonstrate the effectiveness of ADMoE, where it brings up to 34% performance improvement over not using it. Also, it outperforms a total of 13 leading baselines with equivalent network parameters and FLOPS. Notably, ADMoE is model-agnostic to enable any neural network-based detection methods to handle noisy labels, where we showcase its results on both multiple-layer perceptron (MLP) and the leading AD method DeepSAD.

This work focuses on low bitrate video streaming scenarios (e.g. 50 - 200Kbps) where the video quality is severely compromised. We present a family of novel deep generative models for enhancing perceptual video quality of such streams by performing super-resolution while also removing compression artifacts. Our model, which we call SuperTran, consumes as input a single high-quality, high-resolution reference images in addition to the low-quality, low-resolution video stream. The model thus learns how to borrow or copy visual elements like textures from the reference image and fill in the remaining details from the low resolution stream in order to produce perceptually enhanced output video. The reference frame can be sent once at the start of the video session or be retrieved from a gallery. Importantly, the resulting output has substantially better detail than what has been otherwise possible with methods that only use a low resolution input such as the SuperVEGAN method. SuperTran works in real-time (up to 30 frames/sec) on the cloud alongside standard pipelines.

High-energy particles hitting the upper atmosphere of the Earth produce extensive air showers that can be detected from the ground level using imaging atmospheric Cherenkov telescopes. The images recorded by Cherenkov telescopes can be analyzed to separate gamma-ray events from the background hadron events. Many of the methods of analysis require simulation of massive amounts of events and the corresponding images by the Monte Carlo method. However, Monte Carlo simulation is computationally expensive. The data simulated by the Monte Carlo method can be augmented by images generated using faster machine learning methods such as generative adversarial networks or conditional variational autoencoders. We use a conditional variational autoencoder to generate images of gamma events from a Cherenkov telescope of the TAIGA experiment. The variational autoencoder is trained on a set of Monte Carlo events with the image size, or the sum of the amplitudes of the pixels, used as the conditional parameter. We used the trained variational autoencoder to generate new images with the same distribution of the conditional parameter as the size distribution of the Monte Carlo-simulated images of gamma events. The generated images are similar to the Monte Carlo images: a classifier neural network trained on gamma and proton events assigns them the average gamma score 0.984, with less than 3% of the events being assigned the gamma score below 0.999. At the same time, the sizes of the generated images do not match the conditional parameter used in their generation, with the average error 0.33.

Model distillation has been a popular method for producing interpretable machine learning. It uses an interpretable "student" model to mimic the predictions made by the black box "teacher" model. However, when the student model is sensitive to the variability of the data sets used for training, the corresponded interpretation is not reliable. Existing strategies stabilize model distillation by checking whether a large enough corpus of pseudo-data is generated to reliably reproduce student models, but methods to do so have so far been developed for a specific student model. In this paper, we develop a generic approach for stable model distillation based on central limit theorem for the average loss. We start with a collection of candidate student models and search for candidates that reasonably agree with the teacher. Then we construct a multiple testing framework to select a corpus size such that the consistent student model would be selected under different pseudo sample. We demonstrate the application of our proposed approach on three commonly used intelligible models: decision trees, falling rule lists and symbolic regression. Finally, we conduct simulation experiments on Mammographic Mass and Breast Cancer datasets and illustrate the testing procedure throughout a theoretical analysis with Markov process.

We propose a continual learning method which incorporates information from specialized datasets incrementally, by integrating it along the vector field of "generalist" models. The tangent plane to the specialist model acts as a generalist guide and avoids the kind of over-fitting that leads to catastrophic forgetting, while exploiting the convexity of the optimization landscape in the tangent plane. It maintains a small fixed-size memory buffer, as low as 0.4% of the source datasets, which is updated by simple resampling. Our method achieves state-of-the-art across various buffer sizes for different datasets. Specifically, in the class-incremental setting we outperform the existing methods by an average of 26.24% and 28.48%, for Seq-CIFAR-10 and Seq-TinyImageNet respectively. Our method can easily be combined with existing replay-based continual learning methods. When memory buffer constraints are relaxed to allow storage of other metadata such as logits, we attain state-of-the-art accuracy with an error reduction of 36% towards the paragon performance on Seq-CIFAR-10.

Organizations of all sizes, across all industries and domains are leveraging artificial intelligence (AI) technologies to solve some of their biggest challenges around operations, customer experience, and much more. However, due to the probabilistic nature of AI, the risks associated with it are far greater than traditional technologies. Research has shown that these risks can range anywhere from regulatory, compliance, reputational, and user trust, to financial and even societal risks. Depending on the nature and size of the organization, AI technologies can pose a significant risk, if not used in a responsible way. This position paper seeks to present a brief introduction to AI governance, which is a framework designed to oversee the responsible use of AI with the goal of preventing and mitigating risks. Having such a framework will not only manage risks but also gain maximum value out of AI projects and develop consistency for organization-wide adoption of AI.

In this paper, we propose a simple and general approach to augment regular convolution operator by injecting extra group-wise transformation during training and recover it during inference. Extra transformation is carefully selected to ensure it can be merged with regular convolution in each group and will not change the topological structure of regular convolution during inference. Compared with regular convolution operator, our approach (AugConv) can introduce larger learning capacity to improve model performance during training but will not increase extra computational overhead for model deployment. Based on ResNet, we utilize AugConv to build convolutional neural networks named AugResNet. Result on image classification dataset Cifar-10 shows that AugResNet outperforms its baseline in terms of model performance.

This work presents a novel physics-informed deep learning based super-resolution framework to reconstruct high-resolution deformation fields from low-resolution counterparts, obtained from coarse mesh simulations or experiments. We leverage the governing equations and boundary conditions of the physical system to train the model without using any high-resolution labeled data. The proposed approach is applied to obtain the super-resolved deformation fields from the low-resolution stress and displacement fields obtained by running simulations on a coarse mesh for a body undergoing linear elastic deformation. We demonstrate that the super-resolved fields match the accuracy of an advanced numerical solver running at 400 times the coarse mesh resolution, while simultaneously satisfying the governing laws. A brief evaluation study comparing the performance of two deep learning based super-resolution architectures is also presented.

Multivariate time series forecasting has long received significant attention in real-world applications, such as energy consumption and traffic prediction. While recent methods demonstrate good forecasting abilities, they have three fundamental limitations. (i) Discrete neural architectures: Interlacing individually parameterized spatial and temporal blocks to encode rich underlying patterns leads to discontinuous latent state trajectories and higher forecasting numerical errors. (ii) High complexity: Discrete approaches complicate models with dedicated designs and redundant parameters, leading to higher computational and memory overheads. (iii) Reliance on graph priors: Relying on predefined static graph structures limits their effectiveness and practicability in real-world applications. In this paper, we address all the above limitations by proposing a continuous model to forecast $\textbf{M}$ultivariate $\textbf{T}$ime series with dynamic $\textbf{G}$raph neural $\textbf{O}$rdinary $\textbf{D}$ifferential $\textbf{E}$quations ($\texttt{MTGODE}$). Specifically, we first abstract multivariate time series into dynamic graphs with time-evolving node features and unknown graph structures. Then, we design and solve a neural ODE to complement missing graph topologies and unify both spatial and temporal message passing, allowing deeper graph propagation and fine-grained temporal information aggregation to characterize stable and precise latent spatial-temporal dynamics. Our experiments demonstrate the superiorities of $\texttt{MTGODE}$ from various perspectives on five time series benchmark datasets.

Satellite altimetry is a unique way for direct observations of sea surface dynamics. This is however limited to the surface-constrained geostrophic component of sea surface velocities. Ageostrophic dynamics are however expected to be significant for horizontal scales below 100~km and time scale below 10~days. The assimilation of ocean general circulation models likely reveals only a fraction of this ageostrophic component. Here, we explore a learning-based scheme to better exploit the synergies between the observed sea surface tracers, especially sea surface height (SSH) and sea surface temperature (SST), to better inform sea surface currents. More specifically, we develop a 4DVarNet scheme which exploits a variational data assimilation formulation with trainable observations and {\em a priori} terms. An Observing System Simulation Experiment (OSSE) in a region of the Gulf Stream suggests that SST-SSH synergies could reveal sea surface velocities for time scales of 2.5-3.0 days and horizontal scales of 0.5$^\circ$-0.7$^\circ$, including a significant fraction of the ageostrophic dynamics ($\approx$ 47\%). The analysis of the contribution of different observation data, namely nadir along-track altimetry, wide-swath SWOT altimetry and SST data, emphasizes the role of SST features for the reconstruction at horizontal spatial scales ranging from \nicefrac{1}{20}$^\circ$ to \nicefrac{1}{4}$^\circ$.

The well-documented presence of texture bias in modern convolutional neural networks has led to a plethora of algorithms that promote an emphasis on shape cues, often to support generalization to new domains. Yet, common datasets, benchmarks and general model selection strategies are missing, and there is no agreed, rigorous evaluation protocol. In this paper, we investigate difficulties and limitations when training networks with reduced texture bias. In particular, we also show that proper evaluation and meaningful comparisons between methods are not trivial. We introduce BiasBed, a testbed for texture- and style-biased training, including multiple datasets and a range of existing algorithms. It comes with an extensive evaluation protocol that includes rigorous hypothesis testing to gauge the significance of the results, despite the considerable training instability of some style bias methods. Our extensive experiments, shed new light on the need for careful, statistically founded evaluation protocols for style bias (and beyond). E.g., we find that some algorithms proposed in the literature do not significantly mitigate the impact of style bias at all. With the release of BiasBed, we hope to foster a common understanding of consistent and meaningful comparisons, and consequently faster progress towards learning methods free of texture bias. Code is available at https://github.com/D1noFuzi/BiasBed

The raise of machine learning and deep learning led to significant improvement in several domains. This change is supported by both the dramatic rise in computation power and the collection of large datasets. Such massive datasets often include personal data which can represent a threat to privacy. Membership inference attacks are a novel direction of research which aims at recovering training data used by a learning algorithm. In this paper, we develop a mean to measure the leakage of training data leveraging a quantity appearing as a proxy of the total variation of a trained model near its training samples. We extend our work by providing a novel defense mechanism. Our contributions are supported by empirical evidence through convincing numerical experiments.

Temporal sequences of satellite images constitute a highly valuable and abundant resource to analyze a given region. However, the labeled data needed to train most machine learning models are scarce and difficult to obtain. In this context, the current work investigates a fully unsupervised methodology that, given a sequence of images, learns a semantic embedding and then, creates a partition of the ground according to its semantic properties and its evolution over time. We illustrate the methodology by conducting the semantic analysis of a sequence of satellite images of a region of Navarre (Spain). The proposed approach reveals a novel broad perspective of the land, where potentially large areas that share both a similar semantic and a similar temporal evolution are connected in a compact and well-structured manner. The results also show a close relationship between the allocation of the clusters in the geographic space and their allocation in the embedded spaces. The semantic analysis is completed by obtaining the representative sequence of tiles corresponding to each cluster, the linear interpolation between related areas, and a graph that shows the relationships between the clusters, providing a concise semantic summary of the whole region.

The multi-label classification (MLC) task has increasingly been receiving interest from the machine learning (ML) community, as evidenced by the growing number of papers and methods that appear in the literature. Hence, ensuring proper, correct, robust, and trustworthy benchmarking is of utmost importance for the further development of the field. We believe that this can be achieved by adhering to the recently emerged data management standards, such as the FAIR (Findable, Accessible, Interoperable, and Reusable) and TRUST (Transparency, Responsibility, User focus, Sustainability, and Technology) principles. To FAIRify the MLC datasets, we introduce an ontology-based online catalogue of MLC datasets that follow these principles. The catalogue extensively describes many MLC datasets with comprehensible meta-features, MLC-specific semantic descriptions, and different data provenance information. The MLC data catalogue is extensively described in our recent publication in Nature Scientific Reports, Kostovska & Bogatinovski et al., and available at: this http URL In addition, we provide an ontology-based system for easy access and querying of performance/benchmark data obtained from a comprehensive MLC benchmark study. The system is available at: this http URL

Test-time adaptation (TTA) refers to adapting neural networks to distribution shifts, with access to only the unlabeled test samples from the new domain at test-time. Prior TTA methods optimize over unsupervised objectives such as the entropy of model predictions in TENT [Wang et al., 2021], but it is unclear what exactly makes a good TTA loss. In this paper, we start by presenting a surprising phenomenon: if we attempt to meta-learn the best possible TTA loss over a wide class of functions, then we recover a function that is remarkably similar to (a temperature-scaled version of) the softmax-entropy employed by TENT. This only holds, however, if the classifier we are adapting is trained via cross-entropy; if trained via squared loss, a different best TTA loss emerges. To explain this phenomenon, we analyze TTA through the lens of the training losses's convex conjugate. We show that under natural conditions, this (unsupervised) conjugate function can be viewed as a good local approximation to the original supervised loss and indeed, it recovers the best losses found by meta-learning. This leads to a generic recipe that can be used to find a good TTA loss for any given supervised training loss function of a general class. Empirically, our approach consistently dominates other baselines over a wide range of benchmarks. Our approach is particularly of interest when applied to classifiers trained with novel loss functions, e.g., the recently-proposed PolyLoss, where it differs substantially from (and outperforms) an entropy-based loss. Further, we show that our approach can also be interpreted as a kind of self-training using a very specific soft label, which we refer to as the conjugate pseudolabel. Overall, our method provides a broad framework for better understanding and improving test-time adaptation. Code is available at https://github.com/locuslab/tta_conjugate.

Motivated by a range of applications, we study in this paper the problem of transfer learning for nonparametric contextual multi-armed bandits under the covariate shift model, where we have data collected on source bandits before the start of the target bandit learning. The minimax rate of convergence for the cumulative regret is established and a novel transfer learning algorithm that attains the minimax regret is proposed. The results quantify the contribution of the data from the source domains for learning in the target domain in the context of nonparametric contextual multi-armed bandits. In view of the general impossibility of adaptation to unknown smoothness, we develop a data-driven algorithm that achieves near-optimal statistical guarantees (up to a logarithmic factor) while automatically adapting to the unknown parameters over a large collection of parameter spaces under an additional self-similarity assumption. A simulation study is carried out to illustrate the benefits of utilizing the data from the auxiliary source domains for learning in the target domain.

Federated Learning (FL) is an emerging domain in the broader context of artificial intelligence research. Methodologies pertaining to FL assume distributed model training, consisting of a collection of clients and a server, with the main goal of achieving optimal global model with restrictions on data sharing due to privacy concerns. It is worth highlighting that the diverse existing literature in FL mostly assume stationary data generation processes; such an assumption is unrealistic in real-world conditions where concept drift occurs due to, for instance, seasonal or period observations, faults in sensor measurements. In this paper, we introduce a multiscale algorithmic framework which combines theoretical guarantees of \textit{FedAvg} and \textit{FedOMD} algorithms in near stationary settings with a non-stationary detection and adaptation technique to ameliorate FL generalization performance in the presence of model/concept drifts. We present a multi-scale algorithmic framework leading to $\Tilde{\mathcal{O}} ( \min \{ \sqrt{LT} , \Delta^{\frac{1}{3}}T^{\frac{2}{3}} + \sqrt{T} \})$ \textit{dynamic regret} for $T$ rounds with an underlying general convex loss function, where $L$ is the number of times non-stationary drifts occured and $\Delta$ is the cumulative magnitude of drift experienced within $T$ rounds.

Heart failure is typically diagnosed with a global function assessment, such as ejection fraction. However, these metrics have low discriminate power, failing to distinguish different types of this disease. Quantifying local deformations in the form of cardiac strain can provide helpful information, but it remains a challenge. In this work, we introduce WarpPINN, a physics-informed neural network to perform image registration to obtain local metrics of the heart deformation. We apply this method to cine magnetic resonance images to estimate the motion during the cardiac cycle. We inform our neural network of near-incompressibility of cardiac tissue by penalizing the jacobian of the deformation field. The loss function has two components: an intensity-based similarity term between the reference and the warped template images, and a regularizer that represents the hyperelastic behavior of the tissue. The architecture of the neural network allows us to easily compute the strain via automatic differentiation to assess cardiac activity. We use Fourier feature mappings to overcome the spectral bias of neural networks, allowing us to capture discontinuities in the strain field. We test our algorithm on a synthetic example and on a cine-MRI benchmark of 15 healthy volunteers. We outperform current methodologies both landmark tracking and strain estimation. We expect that WarpPINN will enable more precise diagnostics of heart failure based on local deformation information. Source code is available at https://github.com/fsahli/WarpPINN.

Recent multimodal models such as DALL-E and CM3 have achieved remarkable progress in text-to-image and image-to-text generation. However, these models store all learned knowledge (e.g., the appearance of the Eiffel Tower) in the model parameters, requiring increasingly larger models and training data to capture more knowledge. To integrate knowledge in a more scalable and modular way, we propose a retrieval-augmented multimodal model, which enables a base multimodal model (generator) to refer to relevant knowledge fetched by a retriever from external memory (e.g., multimodal documents on the web). Specifically, we implement a retriever using the pretrained CLIP model and a generator using the CM3 Transformer architecture, and train this model using the LAION dataset. Our resulting model, named Retrieval-Augmented CM3 (RA-CM3), is the first multimodal model that can retrieve and generate mixtures of text and images. We show that RA-CM3 significantly outperforms baseline multimodal models such as DALL-E and CM3 on both image and caption generation tasks (12 FID and 17 CIDEr improvements on MS-COCO), while requiring much less compute for training (<30% of DALL-E). Moreover, we show that RA-CM3 exhibits novel capabilities such as knowledge-intensive image generation and multimodal in-context learning.

This paper investigates a new yet challenging problem called Reverse $k$-Maximum Inner Product Search (R$k$MIPS). Given a query (item) vector, a set of item vectors, and a set of user vectors, the problem of R$k$MIPS aims to find a set of user vectors whose inner products with the query vector are one of the $k$ largest among the query and item vectors. We propose the first subquadratic-time algorithm, i.e., Shifting-aware Asymmetric Hashing (SAH), to tackle the R$k$MIPS problem. To speed up the Maximum Inner Product Search (MIPS) on item vectors, we design a shifting-invariant asymmetric transformation and develop a novel sublinear-time Shifting-Aware Asymmetric Locality Sensitive Hashing (SA-ALSH) scheme. Furthermore, we devise a new blocking strategy based on the Cone-Tree to effectively prune user vectors (in a batch). We prove that SAH achieves a theoretical guarantee for solving the RMIPS problem. Experimental results on five real-world datasets show that SAH runs 4$\sim$8$\times$ faster than the state-of-the-art methods for R$k$MIPS while achieving F1-scores of over 90\%. The code is available at \url{https://github.com/HuangQiang/SAH}.

Many industrial applications rely on real-time optimization to improve key performance indicators. In the case of unknown process characteristics, real-time optimization becomes challenging, particularly for the satisfaction of safety constraints. In this paper, we demonstrate the application of an adaptive and explorative real-time optimization framework to an industrial refrigeration process, where we learn the process characteristics through changes in process control targets and through exploration to satisfy safety constraints. We quantify the uncertainty in unknown compressor characteristics of the refrigeration plant by using Gaussian processes and incorporate this uncertainty into the objective function of the real-time optimization problem as a weighted cost term. We adaptively control the weight of this term to drive exploration. The results of our simulation experiments indicate the proposed approach can help to increase the energy efficiency of the considered refrigeration process, closely approximating the performance of a solution that has complete information about the compressor performance characteristics.

The symbolic AI community is increasingly trying to embrace machine learning in neuro-symbolic architectures, yet is still struggling due to cultural barriers. To break the barrier, this rather opinionated personal memo attempts to explain and rectify the conventions in Statistics, Machine Learning, and Deep Learning from the viewpoint of outsiders. It provides a step-by-step protocol for designing a machine learning system that satisfies a minimum theoretical guarantee necessary for being taken seriously by the symbolic AI community, i.e., it discusses "in what condition we can stop worrying and accept statistical machine learning." Unlike most textbooks which are written for students trying to specialize in Stat/ML/DL and willing to accept jargons, this memo is written for experienced symbolic researchers that hear a lot of buzz but are still uncertain and skeptical. Information on Stat/ML/DL is currently too scattered or too noisy to invest in. This memo prioritizes compactness, citations to old papers (many in early 20th century), and concepts that resonate well with symbolic paradigms in order to offer time savings. It prioritizes general mathematical modeling and does not discuss any specific function approximator, such as neural networks (NNs), SVMs, decision trees, etc. Finally, it is open to corrections. Consider this memo as something similar to a blog post taking the form of a paper on Arxiv.

Researchers have proposed many methods for fair and robust machine learning, but comprehensive empirical evaluation of their subgroup robustness is lacking. In this work, we address this gap in the context of tabular data, where sensitive subgroups are clearly-defined, real-world fairness problems abound, and prior works often do not compare to state-of-the-art tree-based models as baselines. We conduct an empirical comparison of several previously-proposed methods for fair and robust learning alongside state-of-the-art tree-based methods and other baselines. Via experiments with more than $340{,}000$ model configurations on eight datasets, we show that tree-based methods have strong subgroup robustness, even when compared to robustness- and fairness-enhancing methods. Moreover, the best tree-based models tend to show good performance over a range of metrics, while robust or group-fair models can show brittleness, with significant performance differences across different metrics for a fixed model. We also demonstrate that tree-based models show less sensitivity to hyperparameter configurations, and are less costly to train. Our work suggests that tree-based ensemble models make an effective baseline for tabular data, and are a sensible default when subgroup robustness is desired. For associated code and detailed results, see https://github.com/jpgard/subgroup-robustness-grows-on-trees .

A central question of machine learning is how deep nets manage to learn tasks in high dimensions. An appealing hypothesis is that they achieve this feat by building a representation of the data where information irrelevant to the task is lost. For image datasets, this view is supported by the observation that after (and not before) training, the neural representation becomes less and less sensitive to diffeomorphisms acting on images as the signal propagates through the net. This loss of sensitivity correlates with performance, and surprisingly correlates with a gain of sensitivity to white noise acquired during training. These facts are unexplained, and as we demonstrate still hold when white noise is added to the images of the training set. Here, we (i) show empirically for various architectures that stability to image diffeomorphisms is achieved by both spatial and channel pooling, (ii) introduce a model scale-detection task which reproduces our empirical observations on spatial pooling and (iii) compute analitically how the sensitivity to diffeomorphisms and noise scales with depth due to spatial pooling. The scalings are found to depend on the presence of strides in the net architecture. We find that the increased sensitivity to noise is due to the perturbing noise piling up during pooling, after being rectified by ReLU units.

This paper presents a fast and principled approach for solving the visual anomaly detection and segmentation problem. In this setup, we have access to only anomaly-free training data and want to detect and identify anomalies of an arbitrary nature on test data. We propose the application of linear statistical dimensionality reduction techniques on the intermediate features produced by a pretrained DNN on the training data, in order to capture the low-dimensional subspace truly spanned by said features. We show that the \emph{feature reconstruction error} (FRE), which is the $\ell_2$-norm of the difference between the original feature in the high-dimensional space and the pre-image of its low-dimensional reduced embedding, is extremely effective for anomaly detection. Further, using the same feature reconstruction error concept on intermediate convolutional layers, we derive FRE maps that provide pixel-level spatial localization of the anomalies in the image (i.e. segmentation). Experiments using standard anomaly detection datasets and DNN architectures demonstrate that our method matches or exceeds best-in-class quality performance, but at a fraction of the computational and memory cost required by the state of the art. It can be trained and run very efficiently, even on a traditional CPU.

How do author perceptions match up to the outcomes of the peer-review process and perceptions of others? In a top-tier computer science conference (NeurIPS 2021) with more than 23,000 submitting authors and 9,000 submitted papers, we survey the authors on three questions: (i) their predicted probability of acceptance for each of their papers, (ii) their perceived ranking of their own papers based on scientific contribution, and (iii) the change in their perception about their own papers after seeing the reviews. The salient results are: (1) Authors have roughly a three-fold overestimate of the acceptance probability of their papers: The median prediction is 70% for an approximately 25% acceptance rate. (2) Female authors exhibit a marginally higher (statistically significant) miscalibration than male authors; predictions of authors invited to serve as meta-reviewers or reviewers are similarly calibrated, but better than authors who were not invited to review. (3) Authors' relative ranking of scientific contribution of two submissions they made generally agree (93%) with their predicted acceptance probabilities, but there is a notable 7% responses where authors think their better paper will face a worse outcome. (4) The author-provided rankings disagreed with the peer-review decisions about a third of the time; when co-authors ranked their jointly authored papers, co-authors disagreed at a similar rate -- about a third of the time. (5) At least 30% of respondents of both accepted and rejected papers said that their perception of their own paper improved after the review process. The stakeholders in peer review should take these findings into account in setting their expectations from peer review.

Finetuning language models on a collection of datasets phrased as instructions has been shown to improve model performance and generalization to unseen tasks. In this paper we explore instruction finetuning with a particular focus on (1) scaling the number of tasks, (2) scaling the model size, and (3) finetuning on chain-of-thought data. We find that instruction finetuning with the above aspects dramatically improves performance on a variety of model classes (PaLM, T5, U-PaLM), prompting setups (zero-shot, few-shot, CoT), and evaluation benchmarks (MMLU, BBH, TyDiQA, MGSM, open-ended generation). For instance, Flan-PaLM 540B instruction-finetuned on 1.8K tasks outperforms PALM 540B by a large margin (+9.4% on average). Flan-PaLM 540B achieves state-of-the-art performance on several benchmarks, such as 75.2% on five-shot MMLU. We also publicly release Flan-T5 checkpoints, which achieve strong few-shot performance even compared to much larger models, such as PaLM 62B. Overall, instruction finetuning is a general method for improving the performance and usability of pretrained language models.

One of the grand challenges of reinforcement learning is the ability to generalize to new tasks. However, general agents require a set of rich, diverse tasks to train on. Designing a `foundation environment' for such tasks is tricky -- the ideal environment would support a range of emergent phenomena, an expressive task space, and fast runtime. To take a step towards addressing this research bottleneck, this work presents Powderworld, a lightweight yet expressive simulation environment running directly on the GPU. Within Powderworld, two motivating challenges distributions are presented, one for world-modelling and one for reinforcement learning. Each contains hand-designed test tasks to examine generalization. Experiments indicate that increasing the environment's complexity improves generalization for world models and certain reinforcement learning agents, yet may inhibit learning in high-variance environments. Powderworld aims to support the study of generalization by providing a source of diverse tasks arising from the same core rules.

We introduce dGSLM, the first "textless" model able to generate audio samples of naturalistic spoken dialogues. It uses recent work on unsupervised spoken unit discovery coupled with a dual-tower transformer architecture with cross-attention trained on 2000 hours of two-channel raw conversational audio (Fisher dataset) without any text or labels. We show that our model is able to generate speech, laughter and other paralinguistic signals in the two channels simultaneously and reproduces more naturalistic and fluid turn-taking compared to a text-based cascaded model.

In maximum-likelihood quantum state tomography, both the sample size and dimension grow exponentially with the number of qubits. It is therefore desirable to develop a stochastic first-order method, just like stochastic gradient descent for modern machine learning, to compute the maximum-likelihood estimate. To this end, we propose an algorithm called stochastic mirror descent with the Burg entropy. Its expected optimization error vanishes at a $O ( \sqrt{ ( 1 / t ) d \log t } )$ rate, where $d$ and $t$ denote the dimension and number of iterations, respectively. Its per-iteration time complexity is $O ( d^3 )$, independent of the sample size. To the best of our knowledge, this is currently the computationally fastest stochastic first-order method for maximum-likelihood quantum state tomography.

Vertical Federated Learning (VFL) is a federated learning setting where multiple parties with different features about the same set of users jointly train machine learning models without exposing their raw data or model parameters. Motivated by the rapid growth in VFL research and real-world applications, we provide a comprehensive review of the concept and algorithms of VFL, as well as current advances and challenges in various aspects, including effectiveness, efficiency, and privacy. We provide an exhaustive categorization for VFL settings and privacy-preserving protocols and comprehensively analyze the privacy attacks and defense strategies for each protocol. In the end, we propose a unified framework, termed VFLow, which considers the VFL problem under communication, computation, privacy, and effectiveness constraints. Finally, we review the most recent advances in industrial applications, highlighting open challenges and future directions for VFL.

Traditional approaches based on finite element analyses have been successfully used to predict the macro-scale behavior of heterogeneous materials (composites, multicomponent alloys, and polycrystals) widely used in industrial applications. However, this necessitates the mesh size to be smaller than the characteristic length scale of the microstructural heterogeneities in the material leading to computationally expensive and time-consuming calculations. The recent advances in deep learning based image super-resolution (SR) algorithms open up a promising avenue to tackle this computational challenge by enabling researchers to enhance the spatio-temporal resolution of data obtained from coarse mesh simulations. However, technical challenges still remain in developing a high-fidelity SR model for application to computational solid mechanics, especially for materials undergoing large deformation. This work aims at developing a physics-informed deep learning based super-resolution framework (PhySRNet) which enables reconstruction of high-resolution deformation fields (displacement and stress) from their low-resolution counterparts without requiring high-resolution labeled data. We design a synthetic case study to illustrate the effectiveness of the proposed framework and demonstrate that the super-resolved fields match the accuracy of an advanced numerical solver running at 400 times the coarse mesh resolution while simultaneously satisfying the (highly nonlinear) governing laws. The approach opens the door to applying machine learning and traditional numerical approaches in tandem to reduce computational complexity accelerate scientific discovery and engineering design.

We propose kernel PCA as a method for analyzing the dependence structure of multivariate extremes and demonstrate that it can be a powerful tool for clustering and dimension reduction. Our work provides some theoretical insight into the preimages obtained by kernel PCA, demonstrating that under certain conditions they can effectively identify clusters in the data. We build on these new insights to characterize rigorously the performance of kernel PCA based on an extremal sample, i.e., the angular part of random vectors for which the radius exceeds a large threshold. More specifically, we focus on the asymptotic dependence of multivariate extremes characterized by the angular or spectral measure in extreme value theory and provide a careful analysis in the case where the extremes are generated from a linear factor model. We give theoretical guarantees on the performance of kernel PCA preimages of such extremes by leveraging their asymptotic distribution together with Davis-Kahan perturbation bounds. Our theoretical findings are complemented with numerical experiments illustrating the finite sample performance of our methods.

Pyrocumulonimbus (pyroCb) clouds are storm clouds generated by extreme wildfires. PyroCbs are associated with unpredictable, and therefore dangerous, wildfire spread. They can also inject smoke particles and trace gases into the upper troposphere and lower stratosphere, affecting the Earth's climate. As global temperatures increase, these previously rare events are becoming more common. Being able to predict which fires are likely to generate pyroCb is therefore key to climate adaptation in wildfire-prone areas. This paper introduces Pyrocast, a pipeline for pyroCb analysis and forecasting. The pipeline's first two components, a pyroCb database and a pyroCb forecast model, are presented. The database brings together geostationary imagery and environmental data for over 148 pyroCb events across North America, Australia, and Russia between 2018 and 2022. Random Forests, Convolutional Neural Networks (CNNs), and CNNs pretrained with Auto-Encoders were tested to predict the generation of pyroCb for a given fire six hours in advance. The best model predicted pyroCb with an AUC of $0.90 \pm 0.04$.

Large Transformers have achieved state-of-the-art performance across many tasks. Most open-source libraries on scaling Transformers focus on improving training or inference with better parallelization. In this work, we present TorchScale, an open-source toolkit that allows researchers and developers to scale up Transformers efficiently and effectively. TorchScale has the implementation of several modeling techniques, which can improve modeling generality and capability, as well as training stability and efficiency. Experimental results on language modeling and neural machine translation demonstrate that TorchScale can successfully scale Transformers to different sizes without tears. The library is available at https://aka.ms/torchscale.

Sarcasm detection is an essential task that can help identify the actual sentiment in user-generated data, such as discussion forums or tweets. Sarcasm is a sophisticated form of linguistic expression because its surface meaning usually contradicts its inner, deeper meaning. Such incongruity is the essential component of sarcasm, however, it makes sarcasm detection quite a challenging task. In this paper, we propose a model which incorporates emotion and sentiment features to capture the incongruity intrinsic to sarcasm. Moreover, we use CNN and pre-trained Transformer to capture context features. Our approach achieved state-of-the-art results on four datasets from social networking platforms and online media.

Reconstructing 3D shapes from planar cross-sections is a challenge inspired by downstream applications like medical imaging and geographic informatics. The input is an in/out indicator function fully defined on a sparse collection of planes in space, and the output is an interpolation of the indicator function to the entire volume. Previous works addressing this sparse and ill-posed problem either produce low quality results, or rely on additional priors such as target topology, appearance information, or input normal directions. In this paper, we present OReX, a method for 3D shape reconstruction from slices alone, featuring a Neural Field as the interpolation prior. A simple neural network is trained on the input planes to receive a 3D coordinate and return an inside/outside estimate for the query point. This prior is powerful in inducing smoothness and self-similarities. The main challenge for this approach is high-frequency details, as the neural prior is overly smoothing. To alleviate this, we offer an iterative estimation architecture and a hierarchical input sampling scheme that encourage coarse-to-fine training, allowing focusing on high frequencies at later stages. In addition, we identify and analyze a common ripple-like effect stemming from the mesh extraction step. We mitigate it by regularizing the spatial gradients of the indicator function around input in/out boundaries, cutting the problem at the root. Through extensive qualitative and quantitative experimentation, we demonstrate our method is robust, accurate, and scales well with the size of the input. We report state-of-the-art results compared to previous approaches and recent potential solutions, and demonstrate the benefit of our individual contributions through analysis and ablation studies.

Machine learning (ML) methods such as artificial neural networks are rapidly becoming ubiquitous in modern science, technology and industry. Despite their accuracy and sophistication, neural networks can be easily fooled by carefully designed malicious inputs known as adversarial attacks. While such vulnerabilities remain a serious challenge for classical neural networks, the extent of their existence is not fully understood in the quantum ML setting. In this work, we benchmark the robustness of quantum ML networks, such as quantum variational classifiers (QVC), at scale by performing rigorous training for both simple and complex image datasets and through a variety of high-end adversarial attacks. Our results show that QVCs offer a notably enhanced robustness against classical adversarial attacks by learning features which are not detected by the classical neural networks, indicating a possible quantum advantage for ML tasks. Contrarily, and remarkably, the converse is not true, with attacks on quantum networks also capable of deceiving classical neural networks. By combining quantum and classical network outcomes, we propose a novel adversarial attack detection technology. Traditionally quantum advantage in ML systems has been sought through increased accuracy or algorithmic speed-up, but our work has revealed the potential for a new kind of quantum advantage through superior robustness of ML models, whose practical realisation will address serious security concerns and reliability issues of ML algorithms employed in a myriad of applications including autonomous vehicles, cybersecurity, and surveillance robotic systems.

We address the consistency of a kernel ridge regression estimate of the conditional mean embedding (CME), which is an embedding of the conditional distribution of $Y$ given $X$ into a target reproducing kernel Hilbert space $\mathcal{H}_Y$. The CME allows us to take conditional expectations of target RKHS functions, and has been employed in nonparametric causal and Bayesian inference. We address the misspecified setting, where the target CME is in the space of Hilbert-Schmidt operators acting from an input interpolation space between $\mathcal{H}_X$ and $L_2$, to $\mathcal{H}_Y$. This space of operators is shown to be isomorphic to a newly defined vector-valued interpolation space. Using this isomorphism, we derive a novel and adaptive statistical learning rate for the empirical CME estimator under the misspecified setting. Our analysis reveals that our rates match the optimal $O(\log n / n)$ rates without assuming $\mathcal{H}_Y$ to be finite dimensional. We further establish a lower bound on the learning rate, which shows that the obtained upper bound is optimal.

Gradient Boosted Decision Tree (GBDT) is a widely-used machine learning algorithm that has been shown to achieve state-of-the-art results on many standard data science problems. We are interested in its application to multioutput problems when the output is highly multidimensional. Although there are highly effective GBDT implementations, their scalability to such problems is still unsatisfactory. In this paper, we propose novel methods aiming to accelerate the training process of GBDT in the multioutput scenario. The idea behind these methods lies in the approximate computation of a scoring function used to find the best split of decision trees. These methods are implemented in SketchBoost, which itself is integrated into our easily customizable Python-based GPU implementation of GBDT called Py-Boost. Our numerical study demonstrates that SketchBoost speeds up the training process of GBDT by up to over 40 times while achieving comparable or even better performance.

The phenomena of concept drift refers to a change of the data distribution affecting the data stream of future samples -- such non-stationary environments are often encountered in the real world. Consequently, learning models operating on the data stream might become obsolete, and need costly and difficult adjustments such as retraining or adaptation. Existing methods to address concept drift are, typically, categorised as active or passive. The former continually adapt a model using incremental learning, while the latter perform a complete model retraining when a drift detection mechanism triggers an alarm. We depart from the traditional avenues and propose for the first time an alternative approach which "unlearns" the effects of the concept drift. Specifically, we propose an autoencoder-based method for "unlearning" the concept drift in an unsupervised manner, without having to retrain or adapt any of the learning models operating on the data.

Modeling spatial relationship in the data remains critical across many different tasks, such as image classification, semantic segmentation and protein structure understanding. Previous works often use a unified solution like relative positional encoding. However, there exists different kinds of spatial relations, including short-range, medium-range and long-range relations, and modeling them separately can better capture the focus of different tasks on the multi-range relations (e.g., short-range relations can be important in instance segmentation, while long-range relations should be upweighted for semantic segmentation). In this work, we introduce the EurNet for Efficient multi-range relational modeling. EurNet constructs the multi-relational graph, where each type of edge corresponds to short-, medium- or long-range spatial interactions. In the constructed graph, EurNet adopts a novel modeling layer, called gated relational message passing (GRMP), to propagate multi-relational information across the data. GRMP captures multiple relations within the data with little extra computational cost. We study EurNets in two important domains for image and protein structure modeling. Extensive experiments on ImageNet classification, COCO object detection and ADE20K semantic segmentation verify the gains of EurNet over the previous SoTA FocalNet. On the EC and GO protein function prediction benchmarks, EurNet consistently surpasses the previous SoTA GearNet. Our results demonstrate the strength of EurNets on modeling spatial multi-relational data from various domains. The implementations of EurNet for image modeling are available at https://github.com/hirl-team/EurNet-Image . The implementations for other applied domains/tasks will be released soon.

This work presents a physics-informed neural network (PINN) based framework to model the strain-rate and temperature dependence of the deformation fields in elastic-viscoplastic solids. To avoid unbalanced back-propagated gradients during training, the proposed framework uses a simple strategy with no added computational complexity for selecting scalar weights that balance the interplay between different terms in the physics-based loss function. In addition, we highlight a fundamental challenge involving the selection of appropriate model outputs so that the mechanical problem can be faithfully solved using a PINN-based approach. We demonstrate the effectiveness of this approach by studying two test problems modeling the elastic-viscoplastic deformation in solids at different strain rates and temperatures, respectively. Our results show that the proposed PINN-based approach can accurately predict the spatio-temporal evolution of deformation in elastic-viscoplastic materials.

Big streams of Earth images from satellites or other platforms (e.g., drones and mobile phones) are becoming increasingly available at low or no cost and with enhanced spatial and temporal resolution. This thesis recognizes the unprecedented opportunities offered by the high quality and open access Earth observation data of our times and introduces novel machine learning and big data methods to properly exploit them towards developing applications for sustainable and resilient agriculture. The thesis addresses three distinct thematic areas, i.e., the monitoring of the Common Agricultural Policy (CAP), the monitoring of food security and applications for smart and resilient agriculture. The methodological innovations of the developments related to the three thematic areas address the following issues: i) the processing of big Earth Observation (EO) data, ii) the scarcity of annotated data for machine learning model training and iii) the gap between machine learning outputs and actionable advice. This thesis demonstrated how big data technologies such as data cubes, distributed learning, linked open data and semantic enrichment can be used to exploit the data deluge and extract knowledge to address real user needs. Furthermore, this thesis argues for the importance of semi-supervised and unsupervised machine learning models that circumvent the ever-present challenge of scarce annotations and thus allow for model generalization in space and time. Specifically, it is shown how merely few ground truth data are needed to generate high quality crop type maps and crop phenology estimations. Finally, this thesis argues there is considerable distance in value between model inferences and decision making in real-world scenarios and thereby showcases the power of causal and interpretable machine learning in bridging this gap.

Since the beginning of the vaccination trial, social media has been flooded with anti-vaccination comments and conspiracy beliefs. As the day passes, the number of COVID- 19 cases increases, and online platforms and a few news portals entertain sharing different conspiracy theories. The most popular conspiracy belief was the link between the 5G network spreading COVID-19 and the Chinese government spreading the virus as a bioweapon, which initially created racial hatred. Although some disbelief has less impact on society, others create massive destruction. For example, the 5G conspiracy led to the burn of the 5G Tower, and belief in the Chinese bioweapon story promoted an attack on the Asian-Americans. Another popular conspiracy belief was that Bill Gates spread this Coronavirus disease (COVID-19) by launching a mass vaccination program to track everyone. This Conspiracy belief creates distrust issues among laypeople and creates vaccine hesitancy. This study aims to discover the conspiracy theory against the vaccine on social platforms. We performed a sentiment analysis on the 598 unique sample comments related to COVID-19 vaccines. We used two different models, BERT and Perspective API, to find out the sentiment and toxicity of the sentence toward the COVID-19 vaccine.

Audio classification using breath and cough samples has recently emerged as a low-cost, non-invasive, and accessible COVID-19 screening method. However, a comprehensive survey shows that no application has been approved for official use at the time of writing, due to the stringent reliability and accuracy requirements of the critical healthcare setting. To support the development of Machine Learning classification models, we performed an extensive comparative investigation and ranking of 15 audio features, including less well-known ones. The results were verified on two independent COVID-19 sound datasets. By using the identified top-performing features, we have increased COVID-19 classification accuracy by up to 17% on the Cambridge dataset and up to 10% on the Coswara dataset compared to the original baseline accuracies without our feature ranking.

Graph neural networks (GNNs) have shown their superiority in modeling graph data. Owing to the advantages of federated learning, federated graph learning (FGL) enables clients to train strong GNN models in a distributed manner without sharing their private data. A core challenge in federated systems is the non-IID problem, which also widely exists in real-world graph data. For example, local data of clients may come from diverse datasets or even domains, e.g., social networks and molecules, increasing the difficulty for FGL methods to capture commonly shared knowledge and learn a generalized encoder. From real-world graph datasets, we observe that some structural properties are shared by various domains, presenting great potential for sharing structural knowledge in FGL. Inspired by this, we propose FedStar, an FGL framework that extracts and shares the common underlying structure information for inter-graph federated learning tasks. To explicitly extract the structure information rather than encoding them along with the node features, we define structure embeddings and encode them with an independent structure encoder. Then, the structure encoder is shared across clients while the feature-based knowledge is learned in a personalized way, making FedStar capable of capturing more structure-based domain-invariant information and avoiding feature misalignment issues. We perform extensive experiments over both cross-dataset and cross-domain non-IID FGL settings, demonstrating the superiority of FedStar.

Non-intrusive load monitoring (NILM) or energy disaggregation aims to break down total household energy consumption into constituent appliances. Prior work has shown that providing an energy breakdown can help people save up to 15\% of energy. In recent years, deep neural networks (deep NNs) have made remarkable progress in the domain of NILM. In this paper, we demonstrate the performance of Gaussian Processes (GPs) for NILM. We choose GPs due to three main reasons: i) GPs inherently model uncertainty; ii) equivalence between infinite NNs and GPs; iii) by appropriately designing the kernel we can incorporate domain expertise. We explore and present the challenges of applying our GP approaches to NILM.

Today, machine learning (ML) is widely used in industry to provide the core functionality of production systems. However, it is practically always used in production systems as part of a larger end-to-end software system that is made up of several other components in addition to the ML model. Due to production demand and time constraints, automated software engineering practices are highly applicable. The increased use of automated ML software engineering practices in industries such as manufacturing and utilities requires an automated Quality Assurance (QA) approach as an integral part of ML software. Here, QA helps reduce risk by offering an objective perspective on the software task. Although conventional software engineering has automated tools for QA data analysis for data-driven ML, the use of QA practices for ML in operation (MLOps) is lacking. This paper examines the QA challenges that arise in industrial MLOps and conceptualizes modular strategies to deal with data integrity and Data Quality (DQ). The paper is accompanied by real industrial use-cases from industrial partners. The paper also presents several challenges that may serve as a basis for future studies.

The relevance of machine learning (ML) in our daily lives is closely intertwined with its explainability. Explainability can allow end-users to have a transparent and humane reckoning of a ML scheme's capability and utility. It will also foster the user's confidence in the automated decisions of a system. Explaining the variables or features to explain a model's decision is a need of the present times. We could not really find any work, which explains the features on the basis of their class-distinguishing abilities (specially when the real world data are mostly of multi-class nature). In any given dataset, a feature is not equally good at making distinctions between the different possible categorizations (or classes) of the data points. In this work, we explain the features on the basis of their class or category-distinguishing capabilities. We particularly estimate the class-distinguishing capabilities (scores) of the variables for pair-wise class combinations. We validate the explainability given by our scheme empirically on several real-world, multi-class datasets. We further utilize the class-distinguishing scores in a latent feature context and propose a novel decision making protocol. Another novelty of this work lies with a \emph{refuse to render decision} option when the latent variable (of the test point) has a high class-distinguishing potential for the likely classes.

Parts of the brain that carry sensory tasks are organized topographically: nearby neurons are responsive to the same properties of input signals. Thus, in this work, inspired by the neuroscience literature, we proposed a new topographic inductive bias in Convolutional Neural Networks (CNNs). To achieve this, we introduced a new topographic loss and an efficient implementation to topographically organize each convolutional layer of any CNN. We benchmarked our new method on 4 datasets and 3 models in vision and audio tasks and showed equivalent performance to all benchmarks. Besides, we also showcased the generalizability of our topographic loss with how it can be used with different topographic organizations in CNNs. Finally, we demonstrated that adding the topographic inductive bias made CNNs more resistant to pruning. Our approach provides a new avenue to obtain models that are more memory efficient while maintaining better accuracy.

In this work, we study the OpenStreetMap (OSM) data that contains Extensible Markup Language (XML) formatted data. OpenStreetMap data has many different formats. OSM XML format is one of them. OSM data has information in the form of nodes (points), ways (lines and boundaries), and relations (relationships between two or more nodes or ways). Here, we preprocess OSM XML data to extract the ways and nodes information using python to get the whole map of the streets for the Memphis area. We parse the OSM data in such a way that gives us the whole map of the Memphis area. We can further use this map for different Neural Networks (NN) and Machine learning (ML) applications. The steps that are included in this work downloading the Memphis area OSM data, understanding and parsing the OSM XML file, converting the nodes and ways information into the Pandas DataFrame, and visualizing these data into the whole map by using python's available data visualization libraries.

Quantum neural networks (QNNs), represented by parameterized quantum circuits, can be trained in the paradigm of supervised learning to map input data to predictions. Much work has focused on theoretically analyzing the expressive power of QNNs. However, in almost all literature, QNNs' expressive power is numerically validated using only simple univariate functions. We surprisingly discover that state-of-the-art QNNs with strong expressive power can have poor performance in approximating even just a simple sinusoidal function. To fill the gap, we propose four expressibility-enhancing strategies for QNNs: Sinusoidal-friendly embedding, redundant measurement, post-measurement function, and random training data. We analyze the effectiveness of these strategies via mathematical analysis and/or numerical studies including learning complex sinusoidal-based functions. Our results from comparative experiments validate that the four strategies can significantly increase the QNNs' performance in approximating complex multivariable functions and reduce the quantum circuit depth and qubits required.

We study a collaborative scenario where a user not only instructs a system to complete tasks, but also acts alongside it. This allows the user to adapt to the system abilities by changing their language or deciding to simply accomplish some tasks themselves, and requires the system to effectively recover from errors as the user strategically assigns it new goals. We build a game environment to study this scenario, and learn to map user instructions to system actions. We introduce a learning approach focused on recovery from cascading errors between instructions, and modeling methods to explicitly reason about instructions with multiple goals. We evaluate with a new evaluation protocol using recorded interactions and online games with human users, and observe how users adapt to the system abilities.

The presence of offensive language on social media is very common motivating platforms to invest in strategies to make communities safer. This includes developing robust machine learning systems capable of recognizing offensive content online. Apart from a few notable exceptions, most research on automatic offensive language identification has dealt with English and a few other high resource languages such as French, German, and Spanish. In this paper we address this gap by tackling offensive language identification in Marathi, a low-resource Indo-Aryan language spoken in India. We introduce the Marathi Offensive Language Dataset v.2.0 or MOLD 2.0 and present multiple experiments on this dataset. MOLD 2.0 is a much larger version of MOLD with expanded annotation to the levels B (type) and C (target) of the popular OLID taxonomy. MOLD 2.0 is the first hierarchical offensive language dataset compiled for Marathi, thus opening new avenues for research in low-resource Indo-Aryan languages. Finally, we also introduce SeMOLD, a larger dataset annotated following the semi-supervised methods presented in SOLID.

Value Decomposition (VD) aims to deduce the contributions of agents for decentralized policies in the presence of only global rewards, and has recently emerged as a powerful credit assignment paradigm for tackling cooperative Multi-Agent Reinforcement Learning (MARL) problems. One of the main challenges in VD is to promote diverse behaviors among agents, while existing methods directly encourage the diversity of learned agent networks with various strategies. However, we argue that these dedicated designs for agent networks are still limited by the indistinguishable VD network, leading to homogeneous agent behaviors and thus downgrading the cooperation capability. In this paper, we propose a novel Contrastive Identity-Aware learning (CIA) method, explicitly boosting the credit-level distinguishability of the VD network to break the bottleneck of multi-agent diversity. Specifically, our approach leverages contrastive learning to maximize the mutual information between the temporal credits and identity representations of different agents, encouraging the full expressiveness of credit assignment and further the emergence of individualities. The algorithm implementation of the proposed CIA module is simple yet effective that can be readily incorporated into various VD architectures. Experiments on the SMAC benchmarks and across different VD backbones demonstrate that the proposed method yields results superior to the state-of-the-art counterparts. Our code is available at https://github.com/liushunyu/CIA.

Machine learning has become a promising approach for molecular modeling. Positional quantities, such as interatomic distances and bond angles, play a crucial role in molecule physics. The existing works rely on careful manual design of their representation. To model the complex nonlinearity in predicting molecular properties in an more end-to-end approach, we propose to encode the positional quantities with a learnable embedding that is continuous and differentiable. A regularization technique is employed to encourage embedding smoothness along the physical dimension. We experiment with a variety of molecular property and force field prediction tasks. Improved performance is observed for three different model architectures after plugging in the proposed positional encoding method. In addition, the learned positional encoding allows easier physics-based interpretation. We observe that tasks of similar physics have the similar learned positional encoding.

Unsupervised lifelong learning refers to the ability to learn over time while memorizing previous patterns without supervision. Although great progress has been made in this direction, existing work often assumes strong prior knowledge about the incoming data (e.g., knowing the class boundaries) which can be impossible to obtain in complex and unpredictable environments. In this paper, motivated by real-world scenarios and the current studies, we propose a more practical problem setting called online self-supervised lifelong learning without prior knowledge. The proposed setting is challenging due to the non-iid and single-pass data, the absence of external supervision, and no prior knowledge. We conduct preliminary analyses and show that existing approaches fail to learn useful information in this setup. To address the challenges, we propose Self-Supervised ContrAstive Lifelong LEarning without Prior Knowledge (SCALE) which can extract and memorize representations on-the-fly purely from the data continuum. SCALE is designed around three major components: a pseudo-supervised contrastive loss, a self-supervised forgetting loss, and an online memory update for uniform subset selection. All three components are designed to work collaboratively to maximize learning performance. We perform comprehensive experiments of SCALE under iid and four non-iid data streams. The results show that SCALE outperforms the best state-of-the-art algorithm in all settings with improvements up to 3.83%, 2.77% and 5.86% in terms of kNN accuracy on CIFAR-10, CIFAR-100, and SubImageNet datasets.

Federated learning (FL) has emerged as a promising paradigm for enabling the collaborative training of models without centralized access to the raw data on local devices. In the typical FL paradigm (e.g., FedAvg), model weights are sent to and from the server each round to participating clients. Recently, the use of small pre-trained models has been shown effective in federated learning optimization and improving convergence. However, recent state-of-the-art pre-trained models are getting more capable but also have more parameters. In conventional FL, sharing the enormous model weights can quickly put a massive communication burden on the system, especially if more capable models are employed. Can we find a solution to enable those strong and readily-available pre-trained models in FL to achieve excellent performance while simultaneously reducing the communication burden? To this end, we investigate the use of parameter-efficient fine-tuning in federated learning and thus introduce a new framework: FedPEFT. Specifically, we systemically evaluate the performance of FedPEFT across a variety of client stability, data distribution, and differential privacy settings. By only locally tuning and globally sharing a small portion of the model weights, significant reductions in the total communication overhead can be achieved while maintaining competitive or even better performance in a wide range of federated learning scenarios, providing insight into a new paradigm for practical and effective federated systems.

Compensation for channel mismatch and noise interference is essential for robust automatic speech recognition. Enhanced speech has been introduced into the multi-condition training of acoustic models to improve their generalization ability. In this paper, a noise-aware training framework based on two cascaded neural structures is proposed to jointly optimize speech enhancement and speech recognition. The feature enhancement module is composed of a multi-task autoencoder, where noisy speech is decomposed into clean speech and noise. By concatenating its enhanced, noise-aware, and noisy features for each frame, the acoustic-modeling module maps each feature-augmented frame into a triphone state by optimizing the lattice-free maximum mutual information and cross entropy between the predicted and actual state sequences. On top of the factorized time delay neural network (TDNN-F) and its convolutional variant (CNN-TDNNF), both with SpecAug, the two proposed systems achieve word error rate (WER) of 3.90% and 3.55%, respectively, on the Aurora-4 task. Compared with the best existing systems that use bigram and trigram language models for decoding, the proposed CNN-TDNNF-based system achieves a relative WER reduction of 15.20% and 33.53%, respectively. In addition, the proposed CNN-TDNNF-based system also outperforms the baseline CNN-TDNNF system on the AMI task.

Recent advances in text classification and knowledge capture in language models have relied on availability of large-scale text datasets. However, language models are trained on static snapshots of knowledge and are limited when that knowledge evolves. This is especially critical for misinformation detection, where new types of misinformation continuously appear, replacing old campaigns. We propose time-aware misinformation datasets to capture time-critical phenomena. In this paper, we first present evidence of evolving misinformation and show that incorporating even simple time-awareness significantly improves classifier accuracy. Second, we present COVID-TAD, a large-scale COVID-19 misinformation da-taset spanning 25 months. It is the first large-scale misinformation dataset that contains multiple snapshots of a datastream and is orders of magnitude bigger than related misinformation datasets. We describe the collection and labeling pro-cess, as well as preliminary experiments.

While current deep learning (DL)-based beamforming techniques have been proved effective in speech separation, they are often designed to process narrow-band (NB) frequencies independently which results in higher computational costs and inference times, making them unsuitable for real-world use. In this paper, we propose DL-based mel-subband spatio-temporal beamformer to perform speech separation in a car environment with reduced computation cost and inference time. As opposed to conventional subband (SB) approaches, our framework uses a mel-scale based subband selection strategy which ensures a fine-grained processing for lower frequencies where most speech formant structure is present, and coarse-grained processing for higher frequencies. In a recursive way, robust frame-level beamforming weights are determined for each speaker location/zone in a car from the estimated subband speech and noise covariance matrices. Furthermore, proposed framework also estimates and suppresses any echoes from the loudspeaker(s) by using the echo reference signals. We compare the performance of our proposed framework to several NB, SB, and full-band (FB) processing techniques in terms of speech quality and recognition metrics. Based on experimental evaluations on simulated and real-world recordings, we find that our proposed framework achieves better separation performance over all SB and FB approaches and achieves performance closer to NB processing techniques while requiring lower computing cost.

Computationally efficient and trustworthy machine learning algorithms are necessary for Digital Twin (DT) framework development. Generally speaking, DT-enabling technologies consist of five major components: (i) Machine learning (ML)-driven prediction algorithm, (ii) Temporal synchronization between physics and digital assets utilizing advanced sensors/instrumentation, (iii) uncertainty propagation, and (iv) DT operational framework. Unfortunately, there is still a significant gap in developing those components for nuclear plant operation. In order to address this gap, this study specifically focuses on the "ML-driven prediction algorithms" as a viable component for the nuclear reactor operation while assessing the reliability and efficacy of the proposed model. Therefore, as a DT prediction component, this study develops a multi-stage predictive model consisting of two feedforward Deep Learning using Neural Networks (DNNs) to determine the final steady-state power of a reactor transient for a nuclear reactor/plant. The goal of the multi-stage model architecture is to convert probabilistic classification to continuous output variables to improve reliability and ease of analysis. Four regression models are developed and tested with input from the first stage model to predict a single value representing the reactor power output. The combined model yields 96% classification accuracy for the first stage and 92% absolute prediction accuracy for the second stage. The development procedure is discussed so that the method can be applied generally to similar systems. An analysis of the role similar models would fill in DTs is performed.

Creating challenging tabular inference data is essential for learning complex reasoning. Prior work has mostly relied on two data generation strategies. The first is human annotation, which yields linguistically diverse data but is difficult to scale. The second category for creation is synthetic generation, which is scalable and cost effective but lacks inventiveness. In this research, we present a framework for semi-automatically recasting existing tabular data to make use of the benefits of both approaches. We utilize our framework to build tabular NLI instances from five datasets that were initially intended for tasks like table2text creation, tabular Q/A, and semantic parsing. We demonstrate that recasted data could be used as evaluation benchmarks as well as augmentation data to enhance performance on tabular NLI tasks. Furthermore, we investigate the effectiveness of models trained on recasted data in the zero-shot scenario, and analyse trends in performance across different recasted datasets types.

Natural language often contains ambiguities that can lead to misinterpretation and miscommunication. While humans can handle ambiguities effectively by asking clarifying questions and/or relying on contextual cues and common-sense knowledge, resolving ambiguities can be notoriously hard for machines. In this work, we study ambiguities that arise in text-to-image generative models. We curate a benchmark dataset covering different types of ambiguities that occur in these systems. We then propose a framework to mitigate ambiguities in the prompts given to the systems by soliciting clarifications from the user. Through automatic and human evaluations, we show the effectiveness of our framework in generating more faithful images aligned with human intention in the presence of ambiguities.

Multi-Task Learning (MTL) is a growing subject of interest in deep learning, due to its ability to train models more efficiently on multiple tasks compared to using a group of conventional single-task models. However, MTL can be impractical as certain tasks can dominate training and hurt performance in others, thus making some tasks perform better in a single-task model compared to a multi-task one. Such problems are broadly classified as negative transfer, and many prior approaches in the literature have been made to mitigate these issues. One such current approach to alleviate negative transfer is to weight each of the losses so that they are on the same scale. Whereas current loss balancing approaches rely on either optimization or complex numerical analysis, none directly scale the losses based on their observed magnitudes. We propose multiple techniques for loss balancing based on scaling by the exponential moving average and benchmark them against current best-performing methods on three established datasets. On these datasets, they achieve comparable, if not higher, performance compared to current best-performing methods.

Recent research in robust optimization has shown an overfitting-like phenomenon in which models trained against adversarial attacks exhibit higher robustness on the training set compared to the test set. Although previous work provided theoretical explanations for this phenomenon using a robust PAC-Bayesian bound over the adversarial test error, related algorithmic derivations are at best only loosely connected to this bound, which implies that there is still a gap between their empirical success and our understanding of adversarial robustness theory. To close this gap, in this paper we consider a different form of the robust PAC-Bayesian bound and directly minimize it with respect to the model posterior. The derivation of the optimal solution connects PAC-Bayesian learning to the geometry of the robust loss surface through a Trace of Hessian (TrH) regularizer that measures the surface flatness. In practice, we restrict the TrH regularizer to the top layer only, which results in an analytical solution to the bound whose computational cost does not depend on the network depth. Finally, we evaluate our TrH regularization approach over CIFAR-10/100 and ImageNet using Vision Transformers (ViT) and compare against baseline adversarial robustness algorithms. Experimental results show that TrH regularization leads to improved ViT robustness that either matches or surpasses previous state-of-the-art approaches while at the same time requires less memory and computational cost.

In the technical report, we provide our solution for OGB-LSC 2022 Graph Regression Task. The target of this task is to predict the quantum chemical property, HOMO-LUMO gap for a given molecule on PCQM4Mv2 dataset. In the competition, we designed two kinds of models: Transformer-M-ViSNet which is an geometry-enhanced graph neural network for fully connected molecular graphs and Pretrained-3D-ViSNet which is a pretrained ViSNet by distilling geomeotric information from optimized structures. With an ensemble of 22 models, ViSNet Team achieved the MAE of 0.0723 eV on the test-challenge set, dramatically reducing the error by 39.75% compared with the best method in the last year competition.

Over the past 20 years, Kenya's demand for petroleum products has proliferated. This is mainly because this particular commodity is used in many sectors of the country's economy. Exchange rates are impacted by constantly shifting prices, which also impact Kenya's industrial output of commodities. The cost of other items produced and even the expansion of the economy is significantly impacted by any change in the price of petroleum products. Therefore, accurate petroleum price forecasting is critical for devising policies that are suitable to curb fuel-related shocks. Data mining techniques are the tools used to find valuable patterns in data. Data mining techniques used in petroleum price prediction, including artificial neural networks (ANNs), support vector machines (SVMs), and intelligent optimization techniques like the genetic algorithm (GA), have grown increasingly popular. This study provides a comprehensive review of the existing data mining techniques for making predictions on petroleum prices. The data mining techniques are classified into regression models, deep neural network models, fuzzy sets and logic, and hybrid models. A detailed discussion of how these models are developed and the accuracy of the models is provided.

Internet of Things (IoT) networks have become an increasingly attractive target of cyberattacks. Powerful Machine Learning (ML) models have recently been adopted to implement network intrusion detection systems to protect IoT networks. For the successful training of such ML models, selecting the right data features is crucial, maximising the detection accuracy and computational efficiency. This paper comprehensively analyses feature sets' importance and predictive power for detecting network attacks. Three feature selection algorithms: chi-square, information gain and correlation, have been utilised to identify and rank data features. The attributes are fed into two ML classifiers: deep feed-forward and random forest, to measure their attack detection performance. The experimental evaluation considered three datasets: UNSW-NB15, CSE-CIC-IDS2018, and ToN-IoT in their proprietary flow format. In addition, the respective variants in NetFlow format were also considered, i.e., NF-UNSW-NB15, NF-CSE-CIC-IDS2018, and NF-ToN-IoT. The experimental evaluation explored the marginal benefit of adding individual features. Our results show that the accuracy initially increases rapidly with adding features but converges quickly to the maximum. This demonstrates a significant potential to reduce the computational and storage cost of intrusion detection systems while maintaining near-optimal detection accuracy. This has particular relevance in IoT systems, with typically limited computational and storage resources.

Many machine learning tasks -- particularly those in affective computing -- are inherently subjective. When asked to classify facial expressions or to rate an individual's attractiveness, humans may disagree with one another, and no single answer may be objectively correct. However, machine learning datasets commonly have just one "ground truth" label for each sample, so models trained on these labels may not perform well on tasks that are subjective in nature. Though allowing models to learn from the individual annotators' ratings may help, most datasets do not provide annotator-specific labels for each sample. To address this issue, we propose SeedBERT, a method for recovering annotator rating distributions from a single label by inducing pre-trained models to attend to different portions of the input. Our human evaluations indicate that SeedBERT's attention mechanism is consistent with human sources of annotator disagreement. Moreover, in our empirical evaluations using large language models, SeedBERT demonstrates substantial gains in performance on downstream subjective tasks compared both to standard deep learning models and to other current models that account explicitly for annotator disagreement.

Gradient-based learning algorithms have an implicit simplicity bias which in effect can limit the diversity of predictors being sampled by the learning procedure. This behavior can hinder the transferability of trained models by (i) favoring the learning of simpler but spurious features -- present in the training data but absent from the test data -- and (ii) by only leveraging a small subset of predictive features. Such an effect is especially magnified when the test distribution does not exactly match the train distribution -- referred to as the Out of Distribution (OOD) generalization problem. However, given only the training data, it is not always possible to apriori assess if a given feature is spurious or transferable. Instead, we advocate for learning an ensemble of models which capture a diverse set of predictive features. Towards this, we propose a new algorithm D-BAT (Diversity-By-disAgreement Training), which enforces agreement among the models on the training data, but disagreement on the OOD data. We show how D-BAT naturally emerges from the notion of generalized discrepancy, as well as demonstrate in multiple experiments how the proposed method can mitigate shortcut-learning, enhance uncertainty and OOD detection, as well as improve transferability.

We show that the popular reinforcement learning (RL) strategy of estimating the state-action value (Q-function) by minimizing the mean squared Bellman error leads to a regression problem with confounding, the inputs and output noise being correlated. Hence, direct minimization of the Bellman error can result in significantly biased Q-function estimates. We explain why fixing the target Q-network in Deep Q-Networks and Fitted Q Evaluation provides a way of overcoming this confounding, thus shedding new light on this popular but not well understood trick in the deep RL literature. An alternative approach to address confounding is to leverage techniques developed in the causality literature, notably instrumental variables (IV). We bring together here the literature on IV and RL by investigating whether IV approaches can lead to improved Q-function estimates. This paper analyzes and compares a wide range of recent IV methods in the context of offline policy evaluation (OPE), where the goal is to estimate the value of a policy using logged data only. By applying different IV techniques to OPE, we are not only able to recover previously proposed OPE methods such as model-based techniques but also to obtain competitive new techniques. We find empirically that state-of-the-art OPE methods are closely matched in performance by some IV methods such as AGMM, which were not developed for OPE. We open-source all our code and datasets at https://github.com/liyuan9988/IVOPEwithACME.  ( 3 min )

A wide range of machine learning applications such as privacy-preserving learning, algorithmic fairness, and domain adaptation/generalization among others, involve learning invariant representations of the data that aim to achieve two competing goals: (a) maximize information or accuracy with respect to a target response, and (b) maximize invariance or independence with respect to a set of protected features (e.g., for fairness, privacy, etc). Despite their wide applicability, theoretical understanding of the optimal tradeoffs -- with respect to accuracy, and invariance -- achievable by invariant representations is still severely lacking. In this paper, we provide an information theoretic analysis of such tradeoffs under both classification and regression settings. More precisely, we provide a geometric characterization of the accuracy and invariance achievable by any representation of the data; we term this feasible region the information plane. We provide an inner bound for this feasible region for the classification case, and an exact characterization for the regression case, which allows us to either bound or exactly characterize the Pareto optimal frontier between accuracy and invariance. Although our contributions are mainly theoretical, a key practical application of our results is in certifying the potential sub-optimality of any given representation learning algorithm for either classification or regression tasks. Our results shed new light on the fundamental interplay between accuracy and invariance, and may be useful in guiding the design of future representation learning algorithms.  ( 3 min )

We study sample covariance matrices arising from rectangular random matrices with i.i.d. columns. It was previously known that the resolvent of these matrices admits a deterministic equivalent when the spectral parameter stays bounded away from the real axis. We extend this work by proving quantitative bounds involving both the dimensions and the spectral parameter, in particular allowing it to get closer to the real positive semi-line. As applications, we obtain a new bound for the convergence in Kolmogorov distance of the empirical spectral distributions of these general models. We also apply our framework to the problem of regularization of Random Features models in Machine Learning without Gaussian hypothesis.  ( 2 min )

We study the scaling limits of stochastic gradient descent (SGD) with constant step-size in the high-dimensional regime. We prove limit theorems for the trajectories of summary statistics (i.e., finite-dimensional functions) of SGD as the dimension goes to infinity. Our approach allows one to choose the summary statistics that are tracked, the initialization, and the step-size. It yields both ballistic (ODE) and diffusive (SDE) limits, with the limit depending dramatically on the former choices. We show a critical scaling regime for the step-size, below which the effective ballistic dynamics matches gradient flow for the population loss, but at which, a new correction term appears which changes the phase diagram. About the fixed points of this effective dynamics, the corresponding diffusive limits can be quite complex and even degenerate. We demonstrate our approach on popular examples including estimation for spiked matrix and tensor models and classification via two-layer networks for binary and XOR-type Gaussian mixture models. These examples exhibit surprising phenomena including multimodal timescales to convergence as well as convergence to sub-optimal solutions with probability bounded away from zero from random (e.g., Gaussian) initializations. At the same time, we demonstrate the benefit of overparametrization by showing that the latter probability goes to zero as the second layer width grows.  ( 3 min )

Non-independent and identically distributed (non-IID) data is a key challenge in federated learning (FL), which usually hampers the optimization convergence and the performance of FL. Existing data augmentation methods based on federated generative models or raw data sharing strategies for solving the non-IID problem still suffer from low performance, privacy protection concerns, and high communication overhead in decentralized tabular data. To tackle these challenges, we propose a federated tabular data augmentation method, named Fed-TDA. The core idea of Fed-TDA is to synthesize tabular data for data augmentation using some simple statistics (e.g., distributions of each column and global covariance). Specifically, we propose the multimodal distribution transformation and inverse cumulative distribution mapping respectively synthesize continuous and discrete columns in tabular data from a noise according to the pre-learned statistics. Furthermore, we theoretically analyze that our Fed-TDA not only preserves data privacy but also maintains the distribution of the original data and the correlation between columns. Through extensive experiments on five real-world tabular datasets, we demonstrate the superiority of Fed-TDA over the state-of-the-art in test performance and communication efficiency.

Pyrocumulonimbus (pyroCb) clouds are storm clouds generated by extreme wildfires. PyroCbs are associated with unpredictable, and therefore dangerous, wildfire spread. They can also inject smoke particles and trace gases into the upper troposphere and lower stratosphere, affecting the Earth's climate. As global temperatures increase, these previously rare events are becoming more common. Being able to predict which fires are likely to generate pyroCb is therefore key to climate adaptation in wildfire-prone areas. This paper introduces Pyrocast, a pipeline for pyroCb analysis and forecasting. The pipeline's first two components, a pyroCb database and a pyroCb forecast model, are presented. The database brings together geostationary imagery and environmental data for over 148 pyroCb events across North America, Australia, and Russia between 2018 and 2022. Random Forests, Convolutional Neural Networks (CNNs), and CNNs pretrained with Auto-Encoders were tested to predict the generation of pyroCb for a given fire six hours in advance. The best model predicted pyroCb with an AUC of $0.90 \pm 0.04$.

We propose a novel deterministic sampling method to approximate a target distribution $\rho^*$ by minimizing the kernel discrepancy, also known as the Maximum Mean Discrepancy (MMD). By employing the general \emph{energetic variational inference} framework (Wang et al., 2021), we convert the problem of minimizing MMD to solving a dynamic ODE system of the particles. We adopt the implicit Euler numerical scheme to solve the ODE systems. This leads to a proximal minimization problem in each iteration of updating the particles, which can be solved by optimization algorithms such as L-BFGS. The proposed method is named EVI-MMD. To overcome the long-existing issue of bandwidth selection of the Gaussian kernel, we propose a novel way to specify the bandwidth dynamically. Through comprehensive numerical studies, we have shown the proposed adaptive bandwidth significantly improves the EVI-MMD. We use the EVI-MMD algorithm to solve two types of sampling problems. In the first type, the target distribution is given by a fully specified density function. The second type is a "two-sample problem", where only training data are available. The EVI-MMD method is used as a generative learning model to generate new samples that follow the same distribution as the training data. With the recommended settings of the tuning parameters, we show that the proposed EVI-MMD method outperforms some existing methods for both types of problems.

During the last years, European intraday power markets have gained importance for balancing forecast errors due to the rising volumes of intermittent renewable generation. However, compared to day-ahead markets, the drivers for the intraday price process are still sparsely researched. In this paper, we propose a modelling strategy for the location, shape and scale parameters of the return distribution in intraday markets, based on fundamental variables. We consider wind and solar forecasts and their intraday updates, outages, price information and a novel measure for the shape of the merit-order, derived from spot auction curves as explanatory variables. We validate our modelling by simulating price paths and compare the probabilistic forecasting performance of our model to benchmark models in a forecasting study for the German market. The approach yields significant improvements in the forecasting performance, especially in the tails of the distribution. At the same time, we are able to derive the contribution of the driving variables. We find that, apart from the first lag of the price changes, none of our fundamental variables have explanatory power for the expected value of the intraday returns. This implies weak-form market efficiency as renewable forecast changes and outage information seems to be priced in by the market. We find that the volatility is driven by the merit-order regime, the time to delivery and the closure of cross-border order books. The tail of the distribution is mainly influenced by past price differences and trading activity. Our approach is directly transferable to other continuous intraday markets in Europe.

In maximum-likelihood quantum state tomography, both the sample size and dimension grow exponentially with the number of qubits. It is therefore desirable to develop a stochastic first-order method, just like stochastic gradient descent for modern machine learning, to compute the maximum-likelihood estimate. To this end, we propose an algorithm called stochastic mirror descent with the Burg entropy. Its expected optimization error vanishes at a $O ( \sqrt{ ( 1 / t ) d \log t } )$ rate, where $d$ and $t$ denote the dimension and number of iterations, respectively. Its per-iteration time complexity is $O ( d^3 )$, independent of the sample size. To the best of our knowledge, this is currently the computationally fastest stochastic first-order method for maximum-likelihood quantum state tomography.

The raise of machine learning and deep learning led to significant improvement in several domains. This change is supported by both the dramatic rise in computation power and the collection of large datasets. Such massive datasets often include personal data which can represent a threat to privacy. Membership inference attacks are a novel direction of research which aims at recovering training data used by a learning algorithm. In this paper, we develop a mean to measure the leakage of training data leveraging a quantity appearing as a proxy of the total variation of a trained model near its training samples. We extend our work by providing a novel defense mechanism. Our contributions are supported by empirical evidence through convincing numerical experiments.

Multi-armed bandit algorithms like Thompson Sampling (TS) can be used to conduct adaptive experiments, in which maximizing reward means that data is used to progressively assign participants to more effective arms. Such assignment strategies increase the risk of statistical hypothesis tests identifying a difference between arms when there is not one, and failing to conclude there is a difference in arms when there truly is one. We tackle this by introducing a novel heuristic algorithm, called TS-PostDiff (Posterior Probability of Difference). TS-PostDiff takes a Bayesian approach to mixing TS and Uniform Random (UR): the probability a participant is assigned using UR allocation is the posterior probability that the difference between two arms is 'small' (below a certain threshold), allowing for more UR exploration when there is little or no reward to be gained. We evaluate TS-PostDiff against state-of-the-art strategies. The empirical and simulation results help characterize the trade-offs of these approaches between reward, False Positive Rate (FPR), and statistical power, as well as under which circumstances each is effective. We quantify the advantage of TS-PostDiff in performing well across multiple differences in arm means (effect sizes), showing the benefits of adaptively changing randomization/exploration in TS in a "Statistically Considerate" manner: reducing FPR and increasing statistical power when differences are small or zero and there is less reward to be gained, while exploiting more when differences may be large. This highlights important considerations for future algorithm development and analysis to better balance reward and statistical analysis.

We study the minimax rates of the label shift problem in non-parametric classification. In addition to the unsupervised setting in which the learner only has access to unlabeled examples from the target domain, we also consider the setting in which a small number of labeled examples from the target domain is available to the learner. Our study reveals a difference in the difficulty of the label shift problem in the two settings, and we attribute this difference to the availability of data from the target domain to estimate the class conditional distributions in the latter setting. We also show that a class proportion estimation approach is minimax rate-optimal in the unsupervised setting.

We propose kernel PCA as a method for analyzing the dependence structure of multivariate extremes and demonstrate that it can be a powerful tool for clustering and dimension reduction. Our work provides some theoretical insight into the preimages obtained by kernel PCA, demonstrating that under certain conditions they can effectively identify clusters in the data. We build on these new insights to characterize rigorously the performance of kernel PCA based on an extremal sample, i.e., the angular part of random vectors for which the radius exceeds a large threshold. More specifically, we focus on the asymptotic dependence of multivariate extremes characterized by the angular or spectral measure in extreme value theory and provide a careful analysis in the case where the extremes are generated from a linear factor model. We give theoretical guarantees on the performance of kernel PCA preimages of such extremes by leveraging their asymptotic distribution together with Davis-Kahan perturbation bounds. Our theoretical findings are complemented with numerical experiments illustrating the finite sample performance of our methods.

Gradient Boosted Decision Tree (GBDT) is a widely-used machine learning algorithm that has been shown to achieve state-of-the-art results on many standard data science problems. We are interested in its application to multioutput problems when the output is highly multidimensional. Although there are highly effective GBDT implementations, their scalability to such problems is still unsatisfactory. In this paper, we propose novel methods aiming to accelerate the training process of GBDT in the multioutput scenario. The idea behind these methods lies in the approximate computation of a scoring function used to find the best split of decision trees. These methods are implemented in SketchBoost, which itself is integrated into our easily customizable Python-based GPU implementation of GBDT called Py-Boost. Our numerical study demonstrates that SketchBoost speeds up the training process of GBDT by up to over 40 times while achieving comparable or even better performance.

We describe the results of applying causal discovery methods on the data from a multi-site clinical trial, on the Treatment of Preserved Cardiac Function Heart Failure with an Aldosterone Antagonist (TOPCAT). The trial was inconclusive, with no clear benefits consistently shown for the whole cohort. However, there were questions regarding the reliability of the diagnosis and treatment protocol for a geographic subgroup of the cohort. With the inclusion of medical context in the form of domain knowledge, causal discovery is used to demonstrate regional discrepancies and to frame the regional transportability of the results. Furthermore, we show that, globally and especially for some subgroups, the treatment has significant causal effects, thus offering a more refined view of the trial results.

We address the consistency of a kernel ridge regression estimate of the conditional mean embedding (CME), which is an embedding of the conditional distribution of $Y$ given $X$ into a target reproducing kernel Hilbert space $\mathcal{H}_Y$. The CME allows us to take conditional expectations of target RKHS functions, and has been employed in nonparametric causal and Bayesian inference. We address the misspecified setting, where the target CME is in the space of Hilbert-Schmidt operators acting from an input interpolation space between $\mathcal{H}_X$ and $L_2$, to $\mathcal{H}_Y$. This space of operators is shown to be isomorphic to a newly defined vector-valued interpolation space. Using this isomorphism, we derive a novel and adaptive statistical learning rate for the empirical CME estimator under the misspecified setting. Our analysis reveals that our rates match the optimal $O(\log n / n)$ rates without assuming $\mathcal{H}_Y$ to be finite dimensional. We further establish a lower bound on the learning rate, which shows that the obtained upper bound is optimal.

Computationally efficient and trustworthy machine learning algorithms are necessary for Digital Twin (DT) framework development. Generally speaking, DT-enabling technologies consist of five major components: (i) Machine learning (ML)-driven prediction algorithm, (ii) Temporal synchronization between physics and digital assets utilizing advanced sensors/instrumentation, (iii) uncertainty propagation, and (iv) DT operational framework. Unfortunately, there is still a significant gap in developing those components for nuclear plant operation. In order to address this gap, this study specifically focuses on the "ML-driven prediction algorithms" as a viable component for the nuclear reactor operation while assessing the reliability and efficacy of the proposed model. Therefore, as a DT prediction component, this study develops a multi-stage predictive model consisting of two feedforward Deep Learning using Neural Networks (DNNs) to determine the final steady-state power of a reactor transient for a nuclear reactor/plant. The goal of the multi-stage model architecture is to convert probabilistic classification to continuous output variables to improve reliability and ease of analysis. Four regression models are developed and tested with input from the first stage model to predict a single value representing the reactor power output. The combined model yields 96% classification accuracy for the first stage and 92% absolute prediction accuracy for the second stage. The development procedure is discussed so that the method can be applied generally to similar systems. An analysis of the role similar models would fill in DTs is performed.

We begin the study of list-decodable linear regression using batches. In this setting only an $\alpha \in (0,1]$ fraction of the batches are genuine. Each genuine batch contains $\ge n$ i.i.d. samples from a common unknown distribution and the remaining batches may contain arbitrary or even adversarial samples. We derive a polynomial time algorithm that for any $n\ge \tilde \Omega(1/\alpha)$ returns a list of size $\mathcal O(1/\alpha^2)$ such that one of the items in the list is close to the true regression parameter. The algorithm requires only $\tilde{\mathcal{O}}(d/\alpha^2)$ genuine batches and works under fairly general assumptions on the distribution. The results demonstrate the utility of batch structure, which allows for the first polynomial time algorithm for list-decodable regression, which may be impossible for the non-batch setting, as suggested by a recent SQ lower bound \cite{diakonikolas2021statistical} for the non-batch setting.

Model distillation has been a popular method for producing interpretable machine learning. It uses an interpretable "student" model to mimic the predictions made by the black box "teacher" model. However, when the student model is sensitive to the variability of the data sets used for training, the corresponded interpretation is not reliable. Existing strategies stabilize model distillation by checking whether a large enough corpus of pseudo-data is generated to reliably reproduce student models, but methods to do so have so far been developed for a specific student model. In this paper, we develop a generic approach for stable model distillation based on central limit theorem for the average loss. We start with a collection of candidate student models and search for candidates that reasonably agree with the teacher. Then we construct a multiple testing framework to select a corpus size such that the consistent student model would be selected under different pseudo sample. We demonstrate the application of our proposed approach on three commonly used intelligible models: decision trees, falling rule lists and symbolic regression. Finally, we conduct simulation experiments on Mammographic Mass and Breast Cancer datasets and illustrate the testing procedure throughout a theoretical analysis with Markov process.

Creating large-scale high-quality labeled datasets is a major bottleneck in supervised machine learning workflows. Auto-labeling systems are a promising way to reduce reliance on manual labeling for dataset construction. Threshold-based auto-labeling, where validation data obtained from humans is used to find a threshold for confidence above which the data is machine-labeled, is emerging as a popular solution used widely in practice. Given the long shelf-life and diverse usage of the resulting datasets, understanding when the data obtained by such auto-labeling systems can be relied on is crucial. In this work, we analyze threshold-based auto-labeling systems and derive sample complexity bounds on the amount of human-labeled validation data required for guaranteeing the quality of machine-labeled data. Our results provide two insights. First, reasonable chunks of the unlabeled data can be automatically and accurately labeled by seemingly bad models. Second, a hidden downside of threshold-based auto-labeling systems is potentially prohibitive validation data usage. Together, these insights describe the promise and pitfalls of using such systems. We validate our theoretical guarantees with simulations and study the efficacy of threshold-based auto-labeling on real datasets.

Bayesian deep learning seeks to equip deep neural networks with the ability to precisely quantify their predictive uncertainty, and has promised to make deep learning more reliable for safety-critical real-world applications. Yet, existing Bayesian deep learning methods fall short of this promise; new methods continue to be evaluated on unrealistic test beds that do not reflect the complexities of downstream real-world tasks that would benefit most from reliable uncertainty quantification. We propose the RETINA Benchmark, a set of real-world tasks that accurately reflect such complexities and are designed to assess the reliability of predictive models in safety-critical scenarios. Specifically, we curate two publicly available datasets of high-resolution human retina images exhibiting varying degrees of diabetic retinopathy, a medical condition that can lead to blindness, and use them to design a suite of automated diagnosis tasks that require reliable predictive uncertainty quantification. We use these tasks to benchmark well-established and state-of-the-art Bayesian deep learning methods on task-specific evaluation metrics. We provide an easy-to-use codebase for fast and easy benchmarking following reproducibility and software design principles. We provide implementations of all methods included in the benchmark as well as results computed over 100 TPU days, 20 GPU days, 400 hyperparameter configurations, and evaluation on at least 6 random seeds each.

This paper introduces a physics-informed machine learning approach for pathloss prediction. This is achieved by including in the training phase simultaneously (i) physical dependencies between spatial loss field and (ii) measured pathloss values in the field. It is shown that the solution to a proposed learning problem improves generalization and prediction quality with a small number of neural network layers and parameters. The latter leads to fast inference times which are favorable for downstream tasks such as localization. Moreover, the physics-informed formulation allows training and prediction with small amount of training data which makes it appealing for a wide range of practical pathloss prediction scenarios.

Mathematical models of cognition are often memoryless and ignore potential fluctuations of their parameters. However, human cognition is inherently dynamic, regardless of the reference time scale. Thus, we propose to augment mechanistic cognitive models with a temporal dimension and estimate the resulting dynamics from a superstatistics perspective. In its simplest form, such a model entails a hierarchy between a low-level observation model and a high-level transition model. The observation model describes the local behavior of a system, and the transition model specifies how the parameters of the observation model evolve over time. To overcome the estimation challenges resulting from the complexity of superstatistical models, we develop and validate a simulation-based deep learning method for Bayesian inference, which can recover both time-varying and time-invariant parameters. We first benchmark our method against two existing frameworks capable of estimating time-varying parameters. We then apply our method to fit a dynamic version of the diffusion decision model to long time series of human response times data. Our results show that the deep learning approach is very efficient in capturing the temporal dynamics of the model. Furthermore, we show that the erroneous assumption of static or homogeneous parameters will hide important temporal information.

Many industrial applications rely on real-time optimization to improve key performance indicators. In the case of unknown process characteristics, real-time optimization becomes challenging, particularly for the satisfaction of safety constraints. In this paper, we demonstrate the application of an adaptive and explorative real-time optimization framework to an industrial refrigeration process, where we learn the process characteristics through changes in process control targets and through exploration to satisfy safety constraints. We quantify the uncertainty in unknown compressor characteristics of the refrigeration plant by using Gaussian processes and incorporate this uncertainty into the objective function of the real-time optimization problem as a weighted cost term. We adaptively control the weight of this term to drive exploration. The results of our simulation experiments indicate the proposed approach can help to increase the energy efficiency of the considered refrigeration process, closely approximating the performance of a solution that has complete information about the compressor performance characteristics.

Multivariate techniques and machine learning models have found numerous applications in High Energy Physics (HEP) research over many years. In recent times, AI models based on deep neural networks are becoming increasingly popular for many of these applications. However, neural networks are regarded as black boxes -- because of their high degree of complexity it is often quite difficult to quantitatively explain the output of a neural network by establishing a tractable input-output relationship and information propagation through the deep network layers. As explainable AI (xAI) methods are becoming more popular in recent years, we explore interpretability of AI models by examining an Interaction Network (IN) model designed to identify boosted $H\to b\bar{b}$ jets amid QCD background. We explore different quantitative methods to demonstrate how the classifier network makes its decision based on the inputs and how this information can be harnessed to reoptimize the model-making it simpler yet equally effective. We additionally illustrate the activity of hidden layers within the IN model as Neural Activation Pattern (NAP) diagrams. Our experiments suggest NAP diagrams reveal important information about how information is conveyed across the hidden layers of deep model. These insights can be useful to effective model reoptimization and hyperparameter tuning.

We empirically demonstrate that full-batch gradient descent on neural network training objectives typically operates in a regime we call the Edge of Stability. In this regime, the maximum eigenvalue of the training loss Hessian hovers just above the numerical value $2 / \text{(step size)}$, and the training loss behaves non-monotonically over short timescales, yet consistently decreases over long timescales. Since this behavior is inconsistent with several widespread presumptions in the field of optimization, our findings raise questions as to whether these presumptions are relevant to neural network training. We hope that our findings will inspire future efforts aimed at rigorously understanding optimization at the Edge of Stability. Code is available at https://github.com/locuslab/edge-of-stability.

We introduce the Momentum Transformer, an attention-based deep-learning architecture, which outperforms benchmark time-series momentum and mean-reversion trading strategies. Unlike state-of-the-art Long Short-Term Memory (LSTM) architectures, which are sequential in nature and tailored to local processing, an attention mechanism provides our architecture with a direct connection to all previous time-steps. Our architecture, an attention-LSTM hybrid, enables us to learn longer-term dependencies, improves performance when considering returns net of transaction costs and naturally adapts to new market regimes, such as during the SARS-CoV-2 crisis. Via the introduction of multiple attention heads, we can capture concurrent regimes, or temporal dynamics, which are occurring at different timescales. The Momentum Transformer is inherently interpretable, providing us with greater insights into our deep-learning momentum trading strategy, including the importance of different factors over time and the past time-steps which are of the greatest significance to the model.

In the framework of online convex optimization, most iterative algorithms require the computation of projections onto convex sets, which can be computationally expensive. To tackle this problem HK12 proposed the study of projection-free methods that replace projections with less expensive computations. The most common approach is based on the Frank-Wolfe method, that uses linear optimization computation in lieu of projections. Recent work by GK22 gave sublinear adaptive regret guarantees with projection free algorithms based on the Frank Wolfe approach. In this work we give projection-free algorithms that are based on a different technique, inspired by Mhammedi22, that replaces projections by set-membership computations. We propose a simple lazy gradient-based algorithm with a Minkowski regularization that attains near-optimal adaptive regret bounds. For general convex loss functions we improve previous adaptive regret bounds from $O(T^{3/4})$ to $O(\sqrt{T})$, and further to tight interval dependent bound $\tilde{O}(\sqrt{I})$ where $I$ denotes the interval length. For strongly convex functions we obtain the first poly-logarithmic adaptive regret bounds using a projection-free algorithm.

We consider the ubiquitous linear inverse problems with additive Gaussian noise and propose an unsupervised general-purpose sampling approach called diffusion model based posterior sampling (DMPS) to reconstruct the unknown signal from noisy linear measurements. Specifically, the prior of the unknown signal is implicitly modeled by one pre-trained diffusion model (DM). In posterior sampling, to address the intractability of exact noise-perturbed likelihood score, a simple yet effective noise-perturbed pseudo-likelihood score is introduced under the uninformative prior assumption. While DMPS applies to any kind of DM with proper modifications, we focus on the ablated diffusion model (ADM) as one specific example and evaluate its efficacy on a variety of linear inverse problems such as image super-resolution, denoising, deblurring, colorization. Experimental results demonstrate that, for both in-distribution and out-of-distribution samples, DMPS achieves highly competitive or even better performances on various tasks while being 3 times faster than the leading competitor. The code to reproduce the results is available at https://github.com/mengxiangming/dmps.

Motivated by a range of applications, we study in this paper the problem of transfer learning for nonparametric contextual multi-armed bandits under the covariate shift model, where we have data collected on source bandits before the start of the target bandit learning. The minimax rate of convergence for the cumulative regret is established and a novel transfer learning algorithm that attains the minimax regret is proposed. The results quantify the contribution of the data from the source domains for learning in the target domain in the context of nonparametric contextual multi-armed bandits. In view of the general impossibility of adaptation to unknown smoothness, we develop a data-driven algorithm that achieves near-optimal statistical guarantees (up to a logarithmic factor) while automatically adapting to the unknown parameters over a large collection of parameter spaces under an additional self-similarity assumption. A simulation study is carried out to illustrate the benefits of utilizing the data from the auxiliary source domains for learning in the target domain.

As one of the central tasks in machine learning, regression finds lots of applications in different fields. An existing common practice for solving regression problems is the mean square error (MSE) minimization approach or its regularized variants which require prior knowledge about the models. Recently, Yi et al., proposed a mutual information based supervised learning framework where they introduced a label entropy regularization which does not require any prior knowledge. When applied to classification tasks and solved via a stochastic gradient descent (SGD) optimization algorithm, their approach achieved significant improvement over the commonly used cross entropy loss and its variants. However, they did not provide a theoretical convergence analysis of the SGD algorithm for the proposed formulation. Besides, applying the framework to regression tasks is nontrivial due to the potentially infinite support set of the label. In this paper, we investigate the regression under the mutual information based supervised learning framework. We first argue that the MSE minimization approach is equivalent to a conditional entropy learning problem, and then propose a mutual information learning formulation for solving regression problems by using a reparameterization technique. For the proposed formulation, we give the convergence analysis of the SGD algorithm for solving it in practice. Finally, we consider a multi-output regression data model where we derive the generalization performance lower bound in terms of the mutual information associated with the underlying data distribution. The result shows that the high dimensionality can be a bless instead of a curse, which is controlled by a threshold. We hope our work will serve as a good starting point for further research on the mutual information based regression.

Federated Learning (FL) is an emerging domain in the broader context of artificial intelligence research. Methodologies pertaining to FL assume distributed model training, consisting of a collection of clients and a server, with the main goal of achieving optimal global model with restrictions on data sharing due to privacy concerns. It is worth highlighting that the diverse existing literature in FL mostly assume stationary data generation processes; such an assumption is unrealistic in real-world conditions where concept drift occurs due to, for instance, seasonal or period observations, faults in sensor measurements. In this paper, we introduce a multiscale algorithmic framework which combines theoretical guarantees of \textit{FedAvg} and \textit{FedOMD} algorithms in near stationary settings with a non-stationary detection and adaptation technique to ameliorate FL generalization performance in the presence of model/concept drifts. We present a multi-scale algorithmic framework leading to $\Tilde{\mathcal{O}} ( \min \{ \sqrt{LT} , \Delta^{\frac{1}{3}}T^{\frac{2}{3}} + \sqrt{T} \})$ \textit{dynamic regret} for $T$ rounds with an underlying general convex loss function, where $L$ is the number of times non-stationary drifts occured and $\Delta$ is the cumulative magnitude of drift experienced within $T$ rounds.

Decision tree optimization is notoriously difficult from a computational perspective but essential for the field of interpretable machine learning. Despite efforts over the past 40 years, only recently have optimization breakthroughs been made that have allowed practical algorithms to find optimal decision trees. These new techniques have the potential to trigger a paradigm shift where it is possible to construct sparse decision trees to efficiently optimize a variety of objective functions without relying on greedy splitting and pruning heuristics that often lead to suboptimal solutions. The contribution in this work is to provide a general framework for decision tree optimization that addresses the two significant open problems in the area: treatment of imbalanced data and fully optimizing over continuous variables. We present techniques that produce optimal decision trees over a variety of objectives including F-score, AUC, and partial area under the ROC convex hull. We also introduce a scalable algorithm that produces provably optimal results in the presence of continuous variables and speeds up decision tree construction by several orders of magnitude relative to the state-of-the art.

When Stable Diffusion 2.0 was released last night, we knew we wanted to get it into production as quickly as possible so that the ML community could use a free web interface to experiment with the model. And don't worry, there is no sign-in, email, or credit card required to use the demo as much as you want. Baseten's previous Stable Diffusion demos have been used to create more than a quarter million images, but the best of them are already being blown away by the quality of images Stable Diffusion 2 produces. Try it for yourself ... let's see what you've made in comments! Give Stable Diffusion 2 a try here: https://app.baseten.co/apps/VBlnMVP/operator_views/nBrd8zP submitted by /u/philipkiely [link] [comments]  ( 66 min )

Elm's PyStudio is an open-source machine learning platform to train and deploy ML models in a workflow environment. It allows you to go from preparing data to deploying a model within minutes. PyStudio is designed to avoid coding in ML experiments just drag and drop, some features are the following: Preprocessing (Data Preparation, Feature Engineering and Feature Selection) Model Selection (over 20 ready-to-use algorithms) Model Evaluation for classification and regression. Exposing Model as a service. Easy way to integrate your algorithms in the studio. ​ Our repo:https://github.com/elmpystudio/pyStudio ​ Check out PyStudio video to get clearer about our stuff! https://youtu.be/sbbsViwPh20 ​ about our Twitter, website and so on... We are working on that! :) submitted by /u/egomicia [link] [comments]  ( 66 min )

I have a GNN-LSTM architecture for a binary classification problem. The accuracy goes to 93% in training and testing, but when I do the inference for some of the values when the model should predict 1(or close to 1) the values that it predicts are between 0.4 and 0.6 all the time? What can cause this behavior? submitted by /u/Beneficial_Law_5613 [link] [comments]  ( 63 min )

Anyone headed to NeurIPS in New Orleans next week? If people are interested, it'll be good to arrange an informal meetup. Happy for suggestions on location and time. submitted by /u/tlyleung [link] [comments]  ( 66 min )

I am have been tasked with exploring models for tabular QA to speed up human review of SEC filings (mainly balance sheets, cash flow statements, etc. ). Still doing exploratory work on what sorts of queries are needed, but more looking for recommendations on what models (with open sourced code preferably) come to mind for this sort of application, or if anyone has experience working with them. Looking for frameworks to build upon. Thanks all. submitted by /u/Clonewars01 [link] [comments]  ( 63 min )

submitted by /u/hardmaru [link] [comments]  ( 68 min )

LLPG stalled or diverged with Humanoid-v2, so I tried to understand the problem: Imagine training DDPG(1step),TD3(2-4steps) algoritms with batch size of 128. At the beginning when you fully explore the Environment with random actions, you gather Replay Buffer with "big data",e.g. with 10,000 transitions, then you start training 1-4 steps at a time. You need such a high speed to learn what you have gathered. But new data comes only by 1-4 steps, and your batch size is 128. In other words you analyze 128 steps, where only 4 of them are new. At the beginning when you train it can be logical, but you have to take into consideration that you need to loose training, decrease learning rate or to have noise factor which counters overtraining (like in SAC it is done through compensation to the no…  ( 61 min )

Hi I have expericence with Machine Learning and Deep Learning but i am relatively new to Reinforcment Learning and i am hoping that some of the more experienced members would help me with a roadmap,courses to learn reinforcment learning. I would prefer code oriented courses that can give me hands on training. I have tried to look on youtube but there is nothing comprehensive. I hope you can help. submitted by /u/No-Jellyfish4231 [link] [comments]  ( 59 min )

Hey, sorry for reposting but no one was replying even though the original issue wasn't solved. So, for an update, I fixed backpropagation and tested it on multiple functions, and it was able to achieve >90% accuracy. But even after fixing backpropagation, my snake agent still seems to take the same action. ​ (After around 600 episodes or so the loss looks like this) ​ https://preview.redd.it/sq4ntlckcx1a1.png?width=1157&format=png&auto=webp&s=4194bd00efc454b5e96727f8102f6436a1b31662 ​ https://reddit.com/link/z3ockm/video/lpt2luyedx1a1/player Here's the code in a github (although it's very long, so I'm not sure if it would help): DDQN-Snake/very long script.lua at main · joejoemallianjoe/DDQN-Snake (github.com) I am using LuaU for this project. Input structure: Apple Z > Snake Head Z Apple Z Snake Head X Apple X < Snake Head X Is there an obstacle in front of the snake? Is there an obstacle to the left of the snake? Is there an obstacle to the right of the snake? Snake orientation = Up? Snake orientation = Down? Snake orientation = Left? Snake orientation = Right? Outputs: Q Values for Up, down, right and left Reward structure: -1 for moving away from apple +1 for moving towards apple +10 reward for eating an apple -100 reward for crashing into wall Network configuration: I have 3 hidden layers, 13 nodes per layer. Hidden layer activation function is ReLU and my weight initialization range is [-1,1]. Loss function is MSE. There is gradient clipping between the range of [-1,1] to prevent exploding gradients. Hyperparameters: Gamma is 0.9 (I have tried it with 0.95 gamma, nothing really changed), Epsilon Decay is 0.995, Target network update frequency is 16, Learning rate is 0.001, Optimizer is SGD with momentum, momentum = 0.99, Batch Size = 64, Max memory size = 10,000 submitted by /u/ImNotKevPlayz [link] [comments]  ( 59 min )

I was trying to find why states in gym are bounded by two values, an upper and lower one. Documentation that I found does not give a reason as to why only saying that anything in between is a valid value. Does anyone have some reading material for this? submitted by /u/DogJumpy7681 [link] [comments]  ( 62 min )

submitted by /u/cranthir_ [link] [comments]  ( 52 min )

Has anyone seen an example where the actor and critic networks (for example in PPO) receive different state observations? I am currently studying a problem where my intuition is that: the actor does not need to know how far in the game it has gotten so far the critic should now how far into the game it has gotten, to estimate the discounted reward more accurate I've never seen this being done and maybe my intuition is way off. However, I have seen that critic networks are often equipped with substantially larger networks - I guess that their job is harder? So I feel like then I might as well give the critic more/different info. What do you think? Id love to hear your thoughts. Is my intuition way off? Have you seen it anyhwere? Any other thoughts? submitted by /u/ConBUW1 [link] [comments]  ( 56 min )

submitted by /u/The_artist_999 [link] [comments]  ( 53 min )

submitted by /u/ai-lover [link] [comments]  ( 45 min )

Elm's PyStudio is an open-source machine learning platform to train and deploy ML models in a workflow environment. It allows you to go from preparing data to deploying a model within minutes. PyStudio is designed to avoid coding in ML experiments just drag and drop, some features are the following: Preprocessing (Data Preparation, Feature Engineering and Feature Selection) Model Selection (over 20 ready-to-use algorithms) Model Evaluation for classification and regression. Exposing Model as a service. Easy way to integrate your algorithms in the studio. ​ Our repo: https://github.com/elmpystudio/pyStudio ​ Check out PyStudio video to get clearer about our stuff! https://youtu.be/sbbsViwPh20 ​ about our Twitter, website and so on... We are working on that! :) submitted by /u/egomicia [link] [comments]  ( 45 min )

I recently read an article regarding artificial intelligence-generated code. The quality of computer-generated visuals, such as portraits, pet shots, videos, essays, and works of art, has grown on us. GitHub Copilot, Tabnine, Polycode, and more tools have taken the next logical step by augmenting the present code autocomplete capability with #AI. As a result, #artificial intelligence (AI) and #machine learning (ML) have been gradually introduced into software development. Unlike cat pictures, however, research shows that there is a real risk connected with the origin, quality, and security of application code. Copilot's autocompletion, for example, is trained on open-source code to provide relevant snippets. This makes the quality and security of suggestions contingent on the training set. The greater concern is with AI-generated software code, not with Copilot. Similar generators are likely to gain popularity in the coming years. The computer industry must consider how such code is created, how it is used, and who is held accountable when things go wrong. If you have any thoughts on the subject and believe it will benefit your organization, please share them with me. https://www.darkreading.com/edge-articles/ai-generated-code-is-coming-are-you-ready- submitted by /u/ricks_cloud [link] [comments]  ( 55 min )

I'm exploring the potential for AI for Journalism in tracing and collecting a list of Media Appearances in list format complete with video links. Does anything of the sort exist already? submitted by /u/viewerx3 [link] [comments]  ( 49 min )

submitted by /u/Sefi_AI [link] [comments]  ( 48 min )

I've seen DeepAi before and it's a good page. However, after a lot of images, they said that I have to "give credits" to use DeepAi Pro, I didn't sign up for deepAi Pro which is weird and it keeps repeating the same message saying I have to pay for the DeepAi pro. I don't know what happened so if anyone know about this please help me. submitted by /u/Dementia_user [link] [comments]  ( 45 min )

submitted by /u/PotemkinCityLimits [link] [comments]  ( 47 min )

How to go about selecting an architecture for a dataset with 80 datapoints and 9 features for a regression model ? Working on the Desarhnais dataset, with "Effort" as the target variable. Would a simple NN with one hidden layer suffice since the data is not large or overly complicated ? Thinking of using Relu as the activation function since it is a form of linear regression model, but unsure how to select number of neurons in the hidden layer. Any tips and advice would be helpful. submitted by /u/V1bicycle [link] [comments]  ( 52 min )

I'm trying to solve a problem that has this structure: Date ID feature1 feature2 Y Month1 1 1 2 1 Month2 1 3 4 0 Month3 1 5 6 1 Month1 2 7 8 1 Month2 2 9 10 0 Month3 2 11 12 1 I need to predict, the Y variable for the next month I already have seen this post , so I have an idea of how to solve it but I'm stuck. ​ Things I consider ​ Since ID 1 can be related to ID2 to predict the next Y I consider the following equation : X(t) = [product1_feature1, product1_feature2,.., product3_feature2] ​ 2 . Since the Y value is binary (1,0), I have read that I need to model the time-series data into a supervised learning problem ​ ​ I don't no pretty sure how can I make the equation from 1)... ​ I hope anyone can help me ​ Thanks for your time!! submitted by /u/Arancium98 [link] [comments]  ( 49 min )

Black Friday is now Green Thursday with a great deal on GeForce NOW this week. For a limited time, get a free $20-value GeForce NOW membership gift card with every purchase of a $50-value GeForce NOW membership gift card. Treat yourself and a buddy to high-performance cloud gaming — there’s never been a better time Read article > The post Turn Black Friday Into Green Thursday With New GeForce NOW Deal appeared first on NVIDIA Blog.  ( 5 min )

Today if we define white label SEO services, Every company tries to get good rankings on Google to reach their target audience and bring them traffic. They hire someone else (an SEO agency or freelancer) to optimize their websites and rank higher on Google. This term has become quite common in recent years, especially after… Read More »How Would You Define White Label SEO Services? Is It Outsourcing? The post How Would You Define White Label SEO Services? Is It Outsourcing? appeared first on Data Science Central.  ( 21 min )

Despite their recent success, machine learning (ML) models such as graph neural networks (GNNs), suffer from drawbacks such as the need for large training datasets and poor performance for unseen cases. In this work, we use transfer learning (TL) approaches to circumvent the need for retraining with large datasets. We apply TL to an existing ML framework, trained to predict multiple crack propagation and stress evolution in brittle materials under Mode-I loading. The new framework, ACCelerated Universal fRAcTure Emulator (ACCURATE), is generalized to a variety of crack problems by using a sequence of TL update steps including (i) arbitrary crack lengths, (ii) arbitrary crack orientations, (iii) square domains, (iv) horizontal domains, and (v) shear loadings. We show that using small training datasets of 20 simulations for each TL update step, ACCURATE achieved high prediction accuracy in Mode-I and Mode-II stress intensity factors, and crack paths for these problems. %case studies (i) - (iv). We demonstrate ACCURATE's ability to predict crack growth and stress evolution with high accuracy for unseen cases involving the combination of new boundary dimensions with arbitrary crack lengths and crack orientations in both tensile and shear loading. We also demonstrate significantly accelerated simulation times of up to 2 orders of magnitude faster (200x) compared to an XFEM-based fracture model. The ACCURATE framework provides a universal computational fracture mechanics model that can be easily modified or extended in future work.  ( 2 min )

Variational quantum algorithms (VQAs) have demonstrated great potentials in the NISQ era. In the workflow of VQA, the parameters of ansatz are iteratively updated to approximate the desired quantum states. We have seen various efforts to draft better ansatz with less gates. In quantum computers, the gate ansatz will eventually be transformed into control signals such as microwave pulses on transmons. And the control pulses need elaborate calibration to minimize the errors such as over-rotation and under-rotation. In the case of VQAs, this procedure will introduce redundancy, but the variational properties of VQAs can naturally handle problems of over-rotation and under-rotation by updating the amplitude and frequency parameters. Therefore, we propose PAN, a native-pulse ansatz generator framework for VQAs. We generate native-pulse ansatz with trainable parameters for amplitudes and frequencies. In our proposed PAN, we are tuning parametric pulses, which are natively supported on NISQ computers. Considering that parameter-shift rules do not hold for native-pulse ansatz, we need to deploy non-gradient optimizers. To constrain the number of parameters sent to the optimizer, we adopt a progressive way to generate our native-pulse ansatz. Experiments are conducted on both simulators and quantum devices to validate our methods. When adopted on NISQ machines, PAN obtained improved the performance with decreased latency by an average of 86%. PAN is able to achieve 96.482% and 99.336% accuracy for VQE tasks on H2 and HeH+ respectively, An average accuracy of 97.27% is achieved for medium-size VQE tasks on CO2, H2O, and NaH. PAN also demonstrates advantages on QAOA tasks even with considerable noises in NISQ machines.  ( 3 min )

With the help of Deep Neural Networks, Deep Reinforcement Learning (DRL) has achieved great success on many complex tasks during the past few years. Spiking Neural Networks (SNNs) have been used for the implementation of Deep Neural Networks with superb energy efficiency on dedicated neuromorphic hardware, and recent years have witnessed increasing attention on combining SNNs with Reinforcement Learning, whereas most approaches still work with huge energy consumption and high latency. This work proposes the Adaptive Coding Spiking Framework (ACSF) for SNN-based DRL and achieves low latency and great energy efficiency at the same time. Inspired by classical conditioning in biology, we simulate receptors, central interneurons, and effectors with spike encoders, SNNs, and spike decoders, respectively. We use our proposed ACSF to estimate the value function in reinforcement learning and conduct extensive experiments to verify the effectiveness of our proposed framework.  ( 2 min )

Deep neural networks have demonstrated their ability to automatically extract meaningful features from data. However, in supervised learning, information specific to the dataset used for training, but irrelevant to the task at hand, may remain encoded in the extracted representations. This remaining information introduces a domain-specific bias, weakening the generalization performance. In this work, we propose splitting the information into a task-related representation and its complementary context representation. We propose an original method, combining adversarial feature predictors and cyclic reconstruction, to disentangle these two representations in the single-domain supervised case. We then adapt this method to the unsupervised domain adaptation problem, consisting of training a model capable of performing on both a source and a target domain. In particular, our method promotes disentanglement in the target domain, despite the absence of training labels. This enables the isolation of task-specific information from both domains and a projection into a common representation. The task-specific representation allows efficient transfer of knowledge acquired from the source domain to the target domain. In the single-domain case, we demonstrate the quality of our representations on information retrieval tasks and the generalization benefits induced by sharpened task-specific representations. We then validate the proposed method on several classical domain adaptation benchmarks and illustrate the benefits of disentanglement for domain adaptation.  ( 2 min )

In recent years, much progress has been made in learning robotic manipulation policies that follow natural language instructions. Such methods typically learn from corpora of robot-language data that was either collected with specific tasks in mind or expensively re-labelled by humans with rich language descriptions in hindsight. Recently, large-scale pretrained vision-language models (VLMs) like CLIP or ViLD have been applied to robotics for learning representations and scene descriptors. Can these pretrained models serve as automatic labelers for robot data, effectively importing Internet-scale knowledge into existing datasets to make them useful even for tasks that are not reflected in their ground truth annotations? To accomplish this, we introduce Data-driven Instruction Augmentation for Language-conditioned control (DIAL): we utilize semi-supervised language labels leveraging the semantic understanding of CLIP to propagate knowledge onto large datasets of unlabelled demonstration data and then train language-conditioned policies on the augmented datasets. This method enables cheaper acquisition of useful language descriptions compared to expensive human labels, allowing for more efficient label coverage of large-scale datasets. We apply DIAL to a challenging real-world robotic manipulation domain where 96.5% of the 80,000 demonstrations do not contain crowd-sourced language annotations. DIAL enables imitation learning policies to acquire new capabilities and generalize to 60 novel instructions unseen in the original dataset.  ( 2 min )

In industrial process automation, sensors (pressure, temperature, etc.), controllers, and actuators (solenoid valves, electro-mechanical relays, circuit breakers, motors, etc.) make sure that production lines are working under the pre-defined conditions. When these systems malfunction or sometimes completely fail, alerts have to be generated in real-time to make sure not only production quality is not compromised but also safety of humans and equipment is assured. In this work, we describe the construction of a smart and real-time edge-based electronic product called PreMa, which is basically a sensor for monitoring the health of a Solenoid Valve (SV). PreMa is compact, low power, easy to install, and cost effective. It has data fidelity and measurement accuracy comparable to signals captured using high end equipment. The smart solenoid sensor runs TinyML, a compact version of TensorFlow (a.k.a. TFLite) machine learning framework. While fault detection inferencing is in-situ, model training uses mobile phones to accomplish the `on-device' training. Our product evaluation shows that the sensor is able to differentiate between the distinct types of faults. These faults include: (a) Spool stuck (b) Spring failure and (c) Under voltage. Furthermore, the product provides maintenance personnel, the remaining useful life (RUL) of the SV. The RUL provides assistance to decide valve replacement or otherwise. We perform an extensive evaluation on optimizing metrics related to performance of the entire system (i.e. embedded platform and the neural network model). The proposed implementation is such that, given any electro-mechanical actuator with similar transient response to that of the SV, the system is capable of condition monitoring, hence presenting a first of its kind generic infrastructure.  ( 2 min )

Autonomous agents have made great strides in specialist domains like Atari games and Go. However, they typically learn tabula rasa in isolated environments with limited and manually conceived objectives, thus failing to generalize across a wide spectrum of tasks and capabilities. Inspired by how humans continually learn and adapt in the open world, we advocate a trinity of ingredients for building generalist agents: 1) an environment that supports a multitude of tasks and goals, 2) a large-scale database of multimodal knowledge, and 3) a flexible and scalable agent architecture. We introduce MineDojo, a new framework built on the popular Minecraft game that features a simulation suite with thousands of diverse open-ended tasks and an internet-scale knowledge base with Minecraft videos, tutorials, wiki pages, and forum discussions. Using MineDojo's data, we propose a novel agent learning algorithm that leverages large pre-trained video-language models as a learned reward function. Our agent is able to solve a variety of open-ended tasks specified in free-form language without any manually designed dense shaping reward. We open-source the simulation suite, knowledge bases, algorithm implementation, and pretrained models (https://minedojo.org) to promote research towards the goal of generally capable embodied agents.  ( 2 min )

Supermassive black holes (SMBHs) are ubiquitously found at the centers of most massive galaxies. Measuring SMBH mass is important for understanding the origin and evolution of SMBHs. However, traditional methods require spectroscopic data which is expensive to gather. We present an algorithm that weighs SMBHs using quasar light time series, circumventing the need for expensive spectra. We train, validate, and test neural networks that directly learn from the Sloan Digital Sky Survey (SDSS) Stripe 82 light curves for a sample of $38,939$ spectroscopically confirmed quasars to map out the nonlinear encoding between SMBH mass and multi-color optical light curves. We find a 1$\sigma$ scatter of 0.37 dex between the predicted SMBH mass and the fiducial virial mass estimate based on SDSS single-epoch spectra, which is comparable to the systematic uncertainty in the virial mass estimate. Our results have direct implications for more efficient applications with future observations from the Vera C. Rubin Observatory. Our code, \textsf{AGNet}, is publicly available at \url{https://github.com/snehjp2/AGNet}.  ( 2 min )

This study defines a new evaluation metric for audio tagging tasks to overcome the limitation of the conventional mean average precision (mAP) metric, which treats different kinds of sound as independent classes without considering their relations. Also, due to the ambiguities in sound labeling, the labels in the training and evaluation set are not guaranteed to be accurate and exhaustive, which poses challenges for robust evaluation with mAP. The proposed metric, ontology-aware mean average precision (OmAP) addresses the weaknesses of mAP by utilizing the AudioSet ontology information during the evaluation. Specifically, we reweight the false positive events in the model prediction based on the ontology graph distance to the target classes. The OmAP measure also provides more insights into model performance by evaluations with different coarse-grained levels in the ontology graph. We conduct human evaluations and demonstrate that OmAP is more consistent with human perception than mAP. To further verify the importance of utilizing the ontology information, we also propose a novel loss function (OBCE) that reweights binary cross entropy (BCE) loss based on the ontology distance. Our experiment shows that OBCE can improve both mAP and OmAP metrics on the AudioSet tagging task.  ( 2 min )

Meta-learning of numerical algorithms for a given task consist of the data-driven identification and adaptation of an algorithmic structure and the associated hyperparameters. To limit the complexity of the meta-learning problem, neural architectures with a certain inductive bias towards favorable algorithmic structures can, and should, be used. We generalize our previously introduced Runge-Kutta neural network to a recursively recurrent neural network (R2N2) superstructure for the design of customized iterative algorithms. In contrast to off-the-shelf deep learning approaches, it features a distinct division into modules for generation of information and for the subsequent assembly of this information towards a solution. Local information in the form of a subspace is generated by subordinate, inner, iterations of recurrent function evaluations starting at the current outer iterate. The update to the next outer iterate is computed as a linear combination of these evaluations, reducing the residual in this space, and constitutes the output of the network. We demonstrate that regular training of the weight parameters inside the proposed superstructure on input/output data of various computational problem classes yields iterations similar to Krylov solvers for linear equation systems, Newton-Krylov solvers for nonlinear equation systems, and Runge-Kutta integrators for ordinary differential equations. Due to its modularity, the superstructure can be readily extended with functionalities needed to represent more general classes of iterative algorithms traditionally based on Taylor series expansions.  ( 2 min )

Clustering is the task of gathering similar data samples into clusters without using any predefined labels. It has been widely studied in machine learning literature, and recent advancements in deep learning have revived interest in this field. Contrastive clustering (CC) models are a staple of deep clustering in which positive and negative pairs of each data instance are generated through data augmentation. CC models aim to learn a feature space where instance-level and cluster-level representations of positive pairs are grouped together. Despite improving the SOTA, these algorithms ignore the cross-instance patterns, which carry essential information for improving clustering performance. In this paper, we propose a novel contrastive clustering method, Cross-instance guided Contrastive Clustering (C3), that considers the cross-sample relationships to increase the number of positive pairs. In particular, we define a new loss function that identifies similar instances using the instance-level representation and encourages them to aggregate together. Extensive experimental evaluations show that our proposed method can outperform state-of-the-art algorithms on benchmark computer vision datasets: we improve the clustering accuracy by 6.8%, 2.8%, 4.9%, 1.3% and 0.4% on CIFAR-10, CIFAR-100, ImageNet-10, ImageNet-Dogs, and Tiny-ImageNet, respectively.  ( 2 min )

The emergence of deep-learning-based methods for solving inverse problems has enabled a significant increase in reconstruction quality. Unfortunately, these new methods often lack reliability and explainability, and there is a growing interest to address these shortcomings while retaining the performance. In this work, this problem is tackled by revisiting regularizers that are the sum of convex-ridge functions. The gradient of such regularizers is parametrized by a neural network that has a single hidden layer with increasing and learnable activation functions. This neural network is trained within a few minutes as a multi-step Gaussian denoiser. The numerical experiments for denoising, CT, and MRI reconstruction show improvements over methods that offer similar reliability guarantees.  ( 2 min )

In recent years, neuroscientists have been interested to the development of brain-computer interface (BCI) devices. Patients with motor disorders may benefit from BCIs as a means of communication and for the restoration of motor functions. Electroencephalography (EEG) is one of most used for evaluating the neuronal activity. In many computer vision applications, deep neural networks (DNN) show significant advantages. Towards to ultimate usage of DNN, we present here a shallow neural network that uses mainly two convolutional neural network (CNN) layers, with relatively few parameters and fast to learn spectral-temporal features from EEG. We compared this models to three other neural network models with different depths applied to a mental arithmetic task using eye-closed state adapted for patients suffering from motor disorders and a decline in visual functions. Experimental results showed that the shallow CNN model outperformed all the other models and achieved the highest classification accuracy of 90.68%. It's also more robust to deal with cross-subject classification issues: only 3% standard deviation of accuracy instead of 15.6% from conventional method.  ( 2 min )

In this paper, we identify the best learning scenario to train a team of agents to compete against multiple possible strategies of opposing teams. We evaluate cooperative value-based methods in a mixed cooperative-competitive environment. We restrict ourselves to the case of a symmetric, partially observable, two-team Markov game. We selected three training methods based on the centralised training and decentralised execution (CTDE) paradigm: QMIX, MAVEN and QVMix. For each method, we considered three learning scenarios differentiated by the variety of team policies encountered during training. For our experiments, we modified the StarCraft Multi-Agent Challenge environment to create competitive environments where both teams could learn and compete simultaneously. Our results suggest that training against multiple evolving strategies achieves the best results when, for scoring their performances, teams are faced with several strategies.  ( 2 min )

In this work, we develop convolutional neural generative coding (Conv-NGC), a generalization of predictive coding to the case of convolution/deconvolution-based computation. Specifically, we concretely implement a flexible neurobiologically-motivated algorithm that progressively refines latent state maps in order to dynamically form a more accurate internal representation/reconstruction model of natural images. The performance of the resulting sensory processing system is evaluated on several benchmark datasets such as Color-MNIST, CIFAR-10, and Street House View Numbers (SVHN). We study the effectiveness of our brain-inspired neural system on the tasks of reconstruction and image denoising and find that it is competitive with convolutional auto-encoding systems trained by backpropagation of errors and notably outperforms them with respect to out-of-distribution reconstruction (including on the full 90k CINIC-10 test set).  ( 2 min )

Optimization in Deep Learning is mainly guided by vague intuitions and strong assumptions, with a limited understanding how and why these work in practice. To shed more light on this, our work provides some deeper understandings of how SGD behaves by empirically analyzing the trajectory taken by SGD from a line search perspective. Specifically, a costly quantitative analysis of the full-batch loss along SGD trajectories from common used models trained on a subset of CIFAR-10 is performed. Our core results include that the full-batch loss along lines in update step direction is highly parabolically. Further on, we show that there exists a learning rate with which SGD always performs almost exact line searches on the full-batch loss. Finally, we provide a different perspective why increasing the batch size has almost the same effect as decreasing the learning rate by the same factor.  ( 2 min )

The discovery of reusable sub-routines simplifies decision-making and planning in complex reinforcement learning problems. Previous approaches propose to learn such temporal abstractions in a purely unsupervised fashion through observing state-action trajectories gathered from executing a policy. However, a current limitation is that they process each trajectory in an entirely sequential manner, which prevents them from revising earlier decisions about sub-routine boundary points in light of new incoming information. In this work we propose SloTTAr, a fully parallel approach that integrates sequence processing Transformers with a Slot Attention module and adaptive computation for learning about the number of such sub-routines in an unsupervised fashion. We demonstrate how SloTTAr is capable of outperforming strong baselines in terms of boundary point discovery, even for sequences containing variable amounts of sub-routines, while being up to 7x faster to train on existing benchmarks.  ( 2 min )

Annotating the dataset with high-quality labels is crucial for performance of deep network, but in real world scenarios, the labels are often contaminated by noise. To address this, some methods were proposed to automatically split clean and noisy labels, and learn a semi-supervised learner in a Learning with Noisy Labels (LNL) framework. However, they leverage a handcrafted module for clean-noisy label splitting, which induces a confirmation bias in the semi-supervised learning phase and limits the performance. In this paper, we for the first time present a learnable module for clean-noisy label splitting, dubbed SplitNet, and a novel LNL framework which complementarily trains the SplitNet and main network for the LNL task. We propose to use a dynamic threshold based on a split confidence by SplitNet to better optimize semi-supervised learner. To enhance SplitNet training, we also present a risk hedging method. Our proposed method performs at a state-of-the-art level especially in high noise ratio settings on various LNL benchmarks.  ( 2 min )

Dynamical Systems (DS) are fundamental to the modeling and understanding time evolving phenomena, and have application in physics, biology and control. As determining an analytical description of the dynamics is often difficult, data-driven approaches are preferred for identifying and controlling nonlinear DS with multiple equilibrium points. Identification of such DS has been treated largely as a supervised learning problem. Instead, we focus on an unsupervised learning scenario where we know neither the number nor the type of dynamics. We propose a Graph-based spectral clustering method that takes advantage of a velocity-augmented kernel to connect data points belonging to the same dynamics, while preserving the natural temporal evolution. We study the eigenvectors and eigenvalues of the Graph Laplacian and show that they form a set of orthogonal embedding spaces, one for each sub-dynamics. We prove that there always exist a set of 2-dimensional embedding spaces in which the sub-dynamics are linear and n-dimensional embedding spaces where they are quasi-linear. We compare the clustering performance of our algorithm to Kernel K-Means, Spectral Clustering and Gaussian Mixtures and show that, even when these algorithms are provided with the correct number of sub-dynamics, they fail to cluster them correctly. We learn a diffeomorphism from the Laplacian embedding space to the original space and show that the Laplacian embedding leads to good reconstruction accuracy and a faster training time through an exponential decaying loss compared to the state-of-the-art diffeomorphism-based approaches.  ( 2 min )

In the hospital setting, a small percentage of recurrent frequent patients contribute to a disproportional amount of healthcare resource usage. Moreover, in many of these cases, patient outcomes can be greatly improved by reducing reoccurring visits, especially when they are associated with substance abuse, mental health, and medical factors that could be improved by social-behavioral interventions, outpatient or preventative care. Additionally, health care costs can be reduced significantly with fewer preventable recurrent visits. To address this, we developed a computationally efficient and interpretable framework that both identifies recurrent patients with high utilization and determines which comorbidities contribute most to their recurrent visits. Specifically, we present a novel algorithm, called the minimum similarity association rules (MSAR), balancing confidence-support trade-off, to determine the conditions most associated with reoccurring Emergency department (ED) and inpatient visits. We validate MSAR on a large Electric Health Record (EHR) dataset.  ( 2 min )

As the COVID-19 pandemic continues to put a significant burden on healthcare systems worldwide, there has been growing interest in finding inexpensive symptom pre-screening and recommendation methods to assist in efficiently using available medical resources such as PCR tests. In this study, we introduce the design of COVID-Net Assistant, an efficient virtual assistant designed to provide symptom prediction and recommendations for COVID-19 by analyzing users' cough recordings through deep convolutional neural networks. We explore a variety of highly customized, lightweight convolutional neural network architectures generated via machine-driven design exploration (which we refer to as COVID-Net Assistant neural networks) on the Covid19-Cough benchmark dataset. The Covid19-Cough dataset comprises 682 cough recordings from a COVID-19 positive cohort and 642 from a COVID-19 negative cohort. Among the 682 cough recordings labeled positive, 382 recordings were verified by PCR test. Our experimental results show promising, with the COVID-Net Assistant neural networks demonstrating robust predictive performance, achieving AUC scores of over 0.93, with the best score over 0.95 while being fast and efficient in inference. The COVID-Net Assistant models are made available in an open source manner through the COVID-Net open initiative and, while not a production-ready solution, we hope their availability acts as a good resource for clinical scientists, machine learning researchers, as well as citizen scientists to develop innovative solutions.  ( 3 min )

We provide a decision theoretic analysis of bandit experiments. Working within the framework of diffusion asymptotics, we define suitable notions of asymptotic Bayes and minimax risk for these experiments. For normally distributed rewards, the minimal Bayes risk can be characterized as the solution to a second-order partial differential equation (PDE). Using a limit of experiments approach, we show that this PDE characterization also holds asymptotically under both parametric and non-parametric distributions of the rewards. The approach further describes the state variables it is asymptotically sufficient to restrict attention to, and thereby suggests a practical strategy for dimension reduction. The PDEs characterizing minimal Bayes risk can be solved efficiently using sparse matrix routines. We derive the optimal Bayes and minimax policies from their numerical solutions. These optimal policies substantially dominate existing methods such as Thompson sampling and UCB, often by a factor of two. The framework also covers time discounting and pure exploration.  ( 2 min )

Experience replay-based sampling techniques are essential to several reinforcement learning (RL) algorithms since they aid in convergence by breaking spurious correlations. The most popular techniques, such as uniform experience replay(UER) and prioritized experience replay (PER), seem to suffer from sub-optimal convergence and significant bias error, respectively. To alleviate this, we introduce a new experience replay method for reinforcement learning, called IntrospectiveExperience Replay (IER). IER picks batches corresponding to data points consecutively before the 'surprising' points. Our proposed approach is based on the theoretically rigorous reverse experience replay (RER), which can be shown to remove bias in the linear approximation setting but can be sub-optimal with neural approximation. We show empirically that IER is stable with neural function approximation and has a superior performance compared to the state-of-the-art techniques like uniform experience replay (UER), prioritized experience replay(PER), and hindsight experience replay (HER) on the majority of tasks.  ( 2 min )

This paper addresses the problem of enabling inter-machine Ultra-Reliable Low-Latency Communication (URLLC) in future 6G Industrial Internet of Things (IIoT) networks. As far as the Radio Access Network (RAN) is concerned, centralized pre-configured resource allocation requires scheduling grants to be disseminated to the User Equipments (UEs) before uplink transmissions, which is not efficient for URLLC, especially in case of flexible/unpredictable traffic. To alleviate this burden, we study a distributed, user-centric scheme based on machine learning in which UEs autonomously select their uplink radio resources without the need to wait for scheduling grants or preconfiguration of connections. Using simulation, we demonstrate that a Multi-Armed Bandit (MAB) approach represents a desirable solution to allocate resources with URLLC in mind in an IIoT environment, in case of both periodic and aperiodic traffic, even considering highly populated networks and aggressive traffic.  ( 2 min )

Few-shot Time Series Classification (few-shot TSC) is a challenging problem in time series analysis. It is more difficult to classify when time series of the same class are not completely consistent in spectral domain or time series of different classes are partly consistent in spectral domain. To address this problem, we propose a novel method named Spectral Propagation Graph Network (SPGN) to explicitly model and propagate the spectrum-wise relations between different time series with graph network. To the best of our knowledge, SPGN is the first to utilize spectral comparisons in different intervals and involve spectral propagation across all time series with graph networks for few-shot TSC. SPGN first uses bandpass filter to expand time series in spectral domain for calculating spectrum-wise relations between time series. Equipped with graph networks, SPGN then integrates spectral relations with label information to make spectral propagation. The further study conveys the bi-directional effect between spectral relations acquisition and spectral propagation. We conduct extensive experiments on few-shot TSC benchmarks. SPGN outperforms state-of-the-art results by a large margin in $4\% \sim 13\%$. Moreover, SPGN surpasses them by around $12\%$ and $9\%$ under cross-domain and cross-way settings respectively.  ( 2 min )

Deep Neural Networks (DNNs) are acknowledged as vulnerable to adversarial attacks, while the existing black-box attacks require extensive queries on the victim DNN to achieve high success rates. For query-efficiency, surrogate models of the victim are used to generate transferable Adversarial Examples (AEs) because of their Gradient Similarity (GS), i.e., surrogates' attack gradients are similar to the victim's ones. However, it is generally neglected to exploit their similarity on outputs, namely the Prediction Similarity (PS), to filter out inefficient queries by surrogates without querying the victim. To jointly utilize and also optimize surrogates' GS and PS, we develop QueryNet, a unified attack framework that can significantly reduce queries. QueryNet creatively attacks by multi-identity surrogates, i.e., crafts several AEs for one sample by different surrogates, and also uses surrogates to decide on the most promising AE for the query. After that, the victim's query feedback is accumulated to optimize not only surrogates' parameters but also their architectures, enhancing both the GS and the PS. Although QueryNet has no access to pre-trained surrogates' prior, it reduces queries by averagely about an order of magnitude compared to alternatives within an acceptable time, according to our comprehensive experiments: 11 victims (including two commercial models) on MNIST/CIFAR10/ImageNet, allowing only 8-bit image queries, and no access to the victim's training data. The code is available at https://github.com/Sizhe-Chen/QueryNet.  ( 3 min )

Improving the sample efficiency of reinforcement learning algorithms requires effective exploration. Following the principle of $\textit{optimism in the face of uncertainty}$ (OFU), we train a separate exploration policy to maximize the approximate upper confidence bound of the critics in an off-policy actor-critic framework. However, this introduces extra differences between the replay buffer and the target policy regarding their stationary state-action distributions. To mitigate the off-policy-ness, we adapt the recently introduced DICE framework to learn a distribution correction ratio for off-policy RL training. In particular, we correct the training distribution for both policies and critics. Empirically, we evaluate our proposed method in several challenging continuous control tasks and show superior performance compared to state-of-the-art methods. We also conduct extensive ablation studies to demonstrate the effectiveness and rationality of the proposed method.  ( 2 min )

We propose a novel anomaly detection method for echocardiogram videos. The introduced method takes advantage of the periodic nature of the heart cycle to learn three variants of a variational latent trajectory model (TVAE). While the first two variants (TVAE-C and TVAE-R) model strict periodic movements of the heart, the third (TVAE-S) is more general and allows shifts in the spatial representation throughout the video. All models are trained on the healthy samples of a novel in-house dataset of infant echocardiogram videos consisting of multiple chamber views to learn a normative prior of the healthy population. During inference, maximum a posteriori (MAP) based anomaly detection is performed to detect out-of-distribution samples in our dataset. The proposed method reliably identifies severe congenital heart defects, such as Ebstein's Anomaly or Shone-complex. Moreover, it achieves superior performance over MAP-based anomaly detection with standard variational autoencoders when detecting pulmonary hypertension and right ventricular dilation. Finally, we demonstrate that the proposed method enables interpretable explanations of its output through heatmaps highlighting the regions corresponding to anomalous heart structures.  ( 2 min )

A well-known algorithm in privacy-preserving ML is differentially private stochastic gradient descent (DP-SGD). While this algorithm has been evaluated on text and image data, it has not been previously applied to ads data, which are notorious for their high class imbalance and sparse gradient updates. In this work we apply DP-SGD to several ad modeling tasks including predicting click-through rates, conversion rates, and number of conversion events, and evaluate their privacy-utility trade-off on real-world datasets. Our work is the first to empirically demonstrate that DP-SGD can provide both privacy and utility for ad modeling tasks.  ( 2 min )

Score-based generative models have emerged as alternatives to generative adversarial networks (GANs) and normalizing flows for tasks involving learning and sampling from complex image distributions. In this work we investigate the ability of these models to generate fields in two astrophysical contexts: dark matter mass density fields from cosmological simulations and images of interstellar dust. We examine the fidelity of the sampled cosmological fields relative to the true fields using three different metrics, and identify potential issues to address. We demonstrate a proof-of-concept application of the model trained on dust in denoising dust images. To our knowledge, this is the first application of this class of models to the interstellar medium.  ( 2 min )

In this paper, we study oracle-efficient algorithms for beyond worst-case analysis of online learning. We focus on two settings. First, the smoothed analysis setting of [RST11,HRS22] where an adversary is constrained to generating samples from distributions whose density is upper bounded by $1/\sigma$ times the uniform density. Second, the setting of $K$-hint transductive learning, where the learner is given access to $K$ hints per time step that are guaranteed to include the true instance. We give the first known oracle-efficient algorithms for both settings that depend only on the pseudo (or VC) dimension of the class and parameters $\sigma$ and $K$ that capture the power of the adversary. In particular, we achieve oracle-efficient regret bounds of $ \widetilde{O} ( \sqrt{T d\sigma^{-1}} ) $ and $ \widetilde{O} ( \sqrt{T dK} ) $ for learning real-valued functions and $ O ( \sqrt{T d\sigma^{-\frac{1}{2}} } )$ for learning binary-valued functions. For the smoothed analysis setting, our results give the first oracle-efficient algorithm for online learning with smoothed adversaries [HRS22]. This contrasts the computational separation between online learning with worst-case adversaries and offline learning established by [HK16]. Our algorithms also achieve improved bounds for worst-case setting with small domains. In particular, we give an oracle-efficient algorithm with regret of $O ( \sqrt{T(d |\mathcal{X}|)^{1/2} })$, which is a refinement of the earlier $O ( \sqrt{T|\mathcal{X}|})$ bound by [DS16].  ( 3 min )

Bayesian hierarchical mixture clustering (BHMC) improves on the traditional Bayesian hierarchical clustering by, with regard to the parent-to-child diffusion in the generative process, replacing the conventional Gaussian-to-Gaussian (G2G) kernels with a Hierarchical Dirichlet Process Mixture Model (HDPMM). However, the drawback of the BHMC lies in the possibility of obtaining trees with comparatively high nodal variance in the higher levels (i.e., those closer to the root node). This can be interpreted as that the separation between the nodes, particularly those in the higher levels, might be weak. We attempt to overcome this drawback through a recent inferential framework named posterior regularization, which facilitates a simple manner to impose extra constraints on a Bayesian model to address its weakness. To enhance the separation of clusters, we apply posterior regularization to impose max-margin constraints on the nodes at every level of the hierarchy. In this paper, we illustrate the modeling detail of applying the PR on BHMC and show that this solution achieves the desired improvements over the BHMC model.  ( 2 min )

Recent advances in deep learning have enabled forensics researchers to develop a new class of image splicing detection and localization algorithms. These algorithms identify spliced content by detecting localized inconsistencies in forensic traces using Siamese neural networks, either explicitly during analysis or implicitly during training. At the same time, deep learning has enabled new forms of anti-forensic attacks, such as adversarial examples and generative adversarial network (GAN) based attacks. Thus far, however, no anti-forensic attack has been demonstrated against image splicing detection and localization algorithms. In this paper, we propose a new GAN-based anti-forensic attack that is able to fool state-of-the-art splicing detection and localization algorithms such as EXIF-Net, Noiseprint, and Forensic Similarity Graphs. This attack operates by adversarially training an anti-forensic generator against a set of Siamese neural networks so that it is able to create synthetic forensic traces. Under analysis, these synthetic traces appear authentic and are self-consistent throughout an image. Through a series of experiments, we demonstrate that our attack is capable of fooling forensic splicing detection and localization algorithms without introducing visually detectable artifacts into an attacked image. Additionally, we demonstrate that our attack outperforms existing alternative attack approaches. %  ( 2 min )

The spatiotemporal dynamics of turbulent flows is chaotic and difficult to predict. This makes the design of accurate and stable reduced-order models challenging. The overarching objective of this paper is to propose a nonlinear decomposition of the turbulent state for a reduced-order representation of the dynamics. We divide the turbulent flow into a spatial problem and a temporal problem. First, we compute the latent space, which is the manifold onto which the turbulent dynamics live (i.e., it is a numerical approximation of the turbulent attractor). The latent space is found by a series of nonlinear filtering operations, which are performed by a convolutional autoencoder (CAE). The CAE provides the decomposition in space. Second, we predict the time evolution of the turbulent state in the latent space, which is performed by an echo state network (ESN). The ESN provides the decomposition in time. Third, by assembling the CAE and the ESN, we obtain an autonomous dynamical system: the convolutional autoncoder echo state network (CAE-ESN). This is the reduced-order model of the turbulent flow. We test the CAE-ESN on a two-dimensional flow. We show that, after training, the CAE-ESN (i) finds a latent-space representation of the turbulent flow that has less than 1% of the degrees of freedom than the physical space; (ii) time-accurately and statistically predicts the flow in both quasiperiodic and turbulent regimes; (iii) is robust for different flow regimes (Reynolds numbers); and (iv) takes less than 1% of computational time to predict the turbulent flow than solving the governing equations. This work opens up new possibilities for nonlinear decompositions and reduced-order modelling of turbulent flows from data.

Tensor program tuning is a non-convex objective optimization problem, to which search-based approaches have proven to be effective. At the core of the search-based approaches lies the design of the cost model. Though deep learning-based cost models perform significantly better than other methods, they still fall short and suffer from the following problems. First, their feature extraction heavily relies on expert-level domain knowledge in hardware architectures. Even so, the extracted features are often unsatisfactory and require separate considerations for CPUs and GPUs. Second, a cost model trained on one hardware platform usually performs poorly on another, a problem we call cross-hardware unavailability. In order to address these problems, we propose TLP and MTLTLP. TLP is a deep learning-based cost model that facilitates tensor program tuning. Instead of extracting features from the tensor program itself, TLP extracts features from the schedule primitives. We treat schedule primitives as tensor languages. TLP is thus a Tensor Language Processing task. In this way, the task of predicting the tensor program latency through the cost model is transformed into a natural language processing (NLP) regression task. MTL-TLP combines Multi-Task Learning and TLP to cope with the cross-hardware unavailability problem. We incorporate these techniques into the Ansor framework and conduct detailed experiments. Results show that TLP can speed up the average search time by 9.1X and 3.0X on CPU and GPU workloads, respectively, compared to the state-of-the-art implementation. MTL-TLP can achieve a speed-up of 4.7X and 2.9X on CPU and GPU workloads, respectively, using only 7% of the target hardware data.

The standard approaches to neural network implementation yield powerful function approximation capabilities but are limited in their abilities to learn meta representations and reason probabilistic uncertainties in their predictions. Gaussian processes, on the other hand, adopt the Bayesian learning scheme to estimate such uncertainties but are constrained by their efficiency and approximation capacity. The Neural Processes Family (NPF) intends to offer the best of both worlds by leveraging neural networks for meta-learning predictive uncertainties. Such potential has brought substantial research activity to the family in recent years. Therefore, a comprehensive survey of NPF models is needed to organize and relate their motivation, methodology, and experiments. This paper intends to address this gap while digging deeper into the formulation, research themes, and applications concerning the family members. We shed light on their potential to bring several recent advances in other deep learning domains under one umbrella. We then provide a rigorous taxonomy of the family and empirically demonstrate their capabilities for modeling data generating functions operating on 1-d, 2-d, and 3-d input domains. We conclude by discussing our perspectives on the promising directions that can fuel the research advances in the field. Code for our experiments will be made available at https://github.com/srvCodes/neural-processes-survey.

This effort is focused on examining the behavior of reinforcement learning systems in personalization environments and detailing the differences in policy entropy associated with the type of learning algorithm utilized. We demonstrate that Policy Optimization agents often possess low-entropy policies during training, which in practice results in agents prioritizing certain actions and avoiding others. Conversely, we also show that Q-Learning agents are far less susceptible to such behavior and generally maintain high-entropy policies throughout training, which is often preferable in real-world applications. We provide a wide range of numerical experiments as well as theoretical justification to show that these differences in entropy are due to the type of learning being employed.

Learning mappings between infinite-dimensional function spaces has achieved empirical success in many disciplines of machine learning, including generative modeling, functional data analysis, causal inference, and multi-agent reinforcement learning. In this paper, we study the statistical limit of learning a Hilbert-Schmidt operator between two infinite-dimensional Sobolev reproducing kernel Hilbert spaces. We establish the information-theoretic lower bound in terms of the Sobolev Hilbert-Schmidt norm and show that a regularization that learns the spectral components below the bias contour and ignores the ones that are above the variance contour can achieve the optimal learning rate. At the same time, the spectral components between the bias and variance contours give us flexibility in designing computationally feasible machine learning algorithms. Based on this observation, we develop a multilevel kernel operator learning algorithm that is optimal when learning linear operators between infinite-dimensional function spaces.

The excellent real-world performance of deep neural networks has received increasing attention. Despite the capacity to overfit significantly, such large models work better than smaller ones. This phenomenon is often referred to as the scaling law by practitioners. It is of fundamental interest to study why the scaling law exists and how it avoids/controls overfitting. One approach has been looking at infinite width limits of neural networks (e.g., Neural Tangent Kernels, Gaussian Processes); however, in practise, these do not fully explain finite networks as their infinite counterparts do not learn features. Furthermore, the empirical kernel for finite networks (i.e., the inner product of feature vectors), changes significantly during training in contrast to infinite width networks. In this work we derive an iterative linearised training method. We justify iterative lineralisation as an interpolation between finite analogs of the infinite width regime, which do not learn features, and standard gradient descent training which does. We show some preliminary results where iterative linearised training works well, noting in particular how much feature learning is required to achieve comparable performance. We also provide novel insights into the training behaviour of neural networks.

We integrate contrastive learning (CL) with adversarial learning to co-optimize the robustness and accuracy of code models. Different from existing works, we show that code obfuscation, a standard code transformation operation, provides novel means to generate complementary `views' of a code that enable us to achieve both robust and accurate code models. To the best of our knowledge, this is the first systematic study to explore and exploit the robustness and accuracy benefits of (multi-view) code obfuscations in code models. Specifically, we first adopt adversarial codes as robustness-promoting views in CL at the self-supervised pre-training phase. This yields improved robustness and transferability for downstream tasks. Next, at the supervised fine-tuning stage, we show that adversarial training with a proper temporally-staggered schedule of adversarial code generation can further improve robustness and accuracy of the pre-trained code model. Built on the above two modules, we develop CLAWSAT, a novel self-supervised learning (SSL) framework for code by integrating $\underline{\textrm{CL}}$ with $\underline{\textrm{a}}$dversarial vie$\underline{\textrm{w}}$s (CLAW) with $\underline{\textrm{s}}$taggered $\underline{\textrm{a}}$dversarial $\underline{\textrm{t}}$raining (SAT). On evaluating three downstream tasks across Python and Java, we show that CLAWSAT consistently yields the best robustness and accuracy ($\textit{e.g.}$ 11$\%$ in robustness and 6$\%$ in accuracy on the code summarization task in Python). We additionally demonstrate the effectiveness of adversarial learning in CLAW by analyzing the characteristics of the loss landscape and interpretability of the pre-trained models.

We study the optimization landscape of the log-likelihood function and the convergence of the Expectation-Maximization (EM) algorithm in latent Gaussian tree models, i.e.~tree-structured Gaussian graphical models whose leaf nodes are observable and non-leaf nodes are unobservable. We show that the unique non-trivial stationary point of the population log-likelihood is its global maximum, and establish that the expectation-maximization algorithm is guaranteed to converge to it in the single latent variable case. Our results for the landscape of the log-likelihood function in general latent tree models provide support for the extensive practical use of maximum likelihood based-methods in this setting. Our results for the EM algorithm extend an emerging line of work on obtaining global convergence guarantees for this celebrated algorithm. We show our results for the non-trivial stationary points of the log-likelihood by arguing that a certain system of polynomial equations obtained from the EM updates has a unique non-trivial solution. The global convergence of the EM algorithm follows by arguing that all trivial fixed points are higher-order saddle points.

Oversubscription is a common practice for improving cloud resource utilization. It allows the cloud service provider to sell more resources than the physical limit, assuming not all users would fully utilize the resources simultaneously. However, how to design an oversubscription policy that improves utilization while satisfying the some safety constraints remains an open problem. Existing methods and industrial practices are over-conservative, ignoring the coordination of diverse resource usage patterns and probabilistic constraints. To address these two limitations, this paper formulates the oversubscription for cloud as a chance-constrained optimization problem and propose an effective Chance Constrained Multi-Agent Reinforcement Learning (C2MARL) method to solve this problem. Specifically, C2MARL reduces the number of constraints by considering their upper bounds and leverages a multi-agent reinforcement learning paradigm to learn a safe and optimal coordination policy. We evaluate our C2MARL on an internal cloud platform and public cloud datasets. Experiments show that our C2MARL outperforms existing methods in improving utilization ($20\%\sim 86\%$) under different levels of safety constraints.

At NeurIPS, American and Chinese institutions cite papers from each other's regions substantially less than they cite endogamously. We build a citation graph to quantify this divide, compare it to European connectivity, and discuss the causes and consequences of the separation.

Forecasting future outcomes from recent time series data is not easy, especially when the future data are different from the past (i.e. time series are under temporal drifts). Existing approaches show limited performances under data drifts, and we identify the main reason: It takes time for a model to collect sufficient training data and adjust its parameters for complicated temporal patterns whenever the underlying dynamics change. To address this issue, we study a new approach; instead of adjusting model parameters (by continuously re-training a model on new data), we build a hypernetwork that generates other target models' parameters expected to perform well on the future data. Therefore, we can adjust the model parameters beforehand (if the hypernetwork is correct). We conduct extensive experiments with 6 target models, 6 baselines, and 4 datasets, and show that our HyperGPA outperforms other baselines.

Objective: To develop prognostic survival models for predicting adverse outcomes after catheter ablation treatment for non-valvular atrial fibrillation (AF). Methods: We used a linked dataset including hospital administrative data, prescription medicine claims, emergency department presentations, and death registrations of patients in New South Wales, Australia. The cohort included patients who received catheter ablation for AF. Traditional and deep survival models were trained to predict major bleeding events and a composite of heart failure, stroke, cardiac arrest, and death. Results: Out of a total of 3285 patients in the cohort, 177 (5.3%) experienced the composite outcomeheart failure, stroke, cardiac arrest, deathand 167 (5.1%) experienced major bleeding events after catheter ablation treatment. Models predicting the composite outcome had high risk discrimination accuracy, with the best model having a concordance index > 0.79 at the evaluated time horizons. Models for predicting major bleeding events had poor risk discrimination performance, with all models having a concordance index < 0.66. The most impactful features for the models predicting higher risk were comorbidities indicative of poor health, older age, and therapies commonly used in sicker patients to treat heart failure and AF. Conclusions: Diagnosis and medication history did not contain sufficient information for precise risk prediction of experiencing major bleeding events. The models for predicting the composite outcome have the potential to enable clinicians to identify and manage high-risk patients following catheter ablation proactively. Future research is needed to validate the usefulness of these models in clinical practice.

An important step in the design of autonomous systems is to evaluate the probability that a failure will occur. In safety-critical domains, the failure probability is extremely small so that the evaluation of a policy through Monte Carlo sampling is inefficient. Adaptive importance sampling approaches have been developed for rare event estimation but do not scale well to sequential systems with long horizons. In this work, we develop two adaptive importance sampling algorithms that can efficiently estimate the probability of rare events for sequential decision making systems. The basis for these algorithms is the minimization of the Kullback-Leibler divergence between a state-dependent proposal distribution and a target distribution over trajectories, but the resulting algorithms resemble policy gradient and value-based reinforcement learning. We apply multiple importance sampling to reduce the variance of our estimate and to address the issue of multi-modality in the optimal proposal distribution. We demonstrate our approach on a control task with both continuous and discrete actions spaces and show accuracy improvements over several baselines.

Research on text-to-image generation has witnessed significant progress in generating diverse and photo-realistic images, driven by diffusion and auto-regressive models trained on large-scale image-text data. Though state-of-the-art models can generate high-quality images of common entities, they often have difficulty generating images of uncommon entities, such as `Chortai (dog)' or `Picarones (food)'. To tackle this issue, we present the Retrieval-Augmented Text-to-Image Generator (Re-Imagen), a generative model that uses retrieved information to produce high-fidelity and faithful images, even for rare or unseen entities. Given a text prompt, Re-Imagen accesses an external multi-modal knowledge base to retrieve relevant (image, text) pairs and uses them as references to generate the image. With this retrieval step, Re-Imagen is augmented with the knowledge of high-level semantics and low-level visual details of the mentioned entities, and thus improves its accuracy in generating the entities' visual appearances. We train Re-Imagen on a constructed dataset containing (image, text, retrieval) triples to teach the model to ground on both text prompt and retrieval. Furthermore, we develop a new sampling strategy to interleave the classifier-free guidance for text and retrieval conditions to balance the text and retrieval alignment. Re-Imagen achieves significant gain on FID score over COCO and WikiImage. To further evaluate the capabilities of the model, we introduce EntityDrawBench, a new benchmark that evaluates image generation for diverse entities, from frequent to rare, across multiple object categories including dogs, foods, landmarks, birds, and characters. Human evaluation on EntityDrawBench shows that Re-Imagen can significantly improve the fidelity of generated images, especially on less frequent entities.

We study convex Constrained Markov Decision Processes (CMDPs) in which the objective is concave and the constraints are convex in the state-action occupancy measure. We propose a policy-based primal-dual algorithm that updates the primal variable via policy gradient ascent and updates the dual variable via projected sub-gradient descent. Despite the loss of additivity structure and the nonconvex nature, we establish the global convergence of the proposed algorithm by leveraging a hidden convexity in the problem, and prove the $\mathcal{O}\left(T^{-1/3}\right)$ convergence rate in terms of both optimality gap and constraint violation. When the objective is strongly concave in the occupancy measure, we prove an improved convergence rate of $\mathcal{O}\left(T^{-1/2}\right)$. By introducing a pessimistic term to the constraint, we further show that a zero constraint violation can be achieved while preserving the same convergence rate for the optimality gap. This work is the first one in the literature that establishes non-asymptotic convergence guarantees for policy-based primal-dual methods for solving infinite-horizon discounted convex CMDPs.

Recently end-to-end neural audio/speech coding has shown its great potential to outperform traditional signal analysis based audio codecs. This is mostly achieved by following the VQ-VAE paradigm where blind features are learned, vector-quantized and coded. In this paper, instead of blind end-to-end learning, we propose to learn disentangled features for real-time neural speech coding. Specifically, more global-like speaker identity and local content features are learned with disentanglement to represent speech. Such a compact feature decomposition not only achieves better coding efficiency by exploiting bit allocation among different features but also provides the flexibility to do audio editing in embedding space, such as voice conversion in real-time communications. Both subjective and objective results demonstrate its coding efficiency and we find that the learned disentangled features show comparable performance on any-to-any voice conversion with modern self-supervised speech representation learning models with far less parameters and low latency, showing the potential of our neural coding framework.

We present a PAC-Bayes-style generalization bound which enables the replacement of the KL-divergence with a variety of Integral Probability Metrics (IPM). We provide instances of this bound with the IPM being the total variation metric and the Wasserstein distance. A notable feature of the obtained bounds is that they naturally interpolate between classical uniform convergence bounds in the worst case (when the prior and posterior are far away from each other), and improved bounds in favorable cases (when the posterior and prior are close). This illustrates the possibility of reinforcing classical generalization bounds with algorithm- and data-dependent components, thus making them more suitable to analyze algorithms that use a large hypothesis space.  ( 2 min )

Heterogeneous graph neural networks (HGNNs) have been widely applied in heterogeneous information network tasks, while most HGNNs suffer from poor scalability or weak representation when they are applied to large-scale heterogeneous graphs. To address these problems, we propose a novel Relation-aware Heterogeneous Graph Neural Network with Contrastive Learning (RHCO) for large-scale heterogeneous graph representation learning. Unlike traditional heterogeneous graph neural networks, we adopt the contrastive learning mechanism to deal with the complex heterogeneity of large-scale heterogeneous graphs. We first learn relation-aware node embeddings under the network schema view. Then we propose a novel positive sample selection strategy to choose meaningful positive samples. After learning node embeddings under the positive sample graph view, we perform a cross-view contrastive learning to obtain the final node representations. Moreover, we adopt the label smoothing technique to boost the performance of RHCO. Extensive experiments on three large-scale academic heterogeneous graph datasets show that RHCO achieves best performance over the state-of-the-art models.

AUC (area under the ROC curve) optimization algorithms have drawn much attention due to the incredible adaptability for seriously imbalanced data. Real-world datasets usually contain extensive noisy samples that seriously hinder the model performance, but a limited number of clean samples can be obtained easily. Although some AUC optimization studies make an effort to dispose of noisy samples, they do not utilize such clean samples well. In this paper, we propose a robust AUC optimization algorithm (RAUCO) with good use of available clean samples. Expressly, our RAUCO algorithm can exclude noisy samples from the training by employing the technology of self-paced learning (SPL) under the supervision of clean samples. Moreover, considering the impact of the data enhancement technology on SPL, we innovatively introduce the consistency regularization term to SPL. Theoretical results on the convergence of our RAUCO algorithm are provided under mild assumptions. Comprehensive experiments demonstrate that our RAUCO algorithm holds better robustness than existing algorithms.

Due to individual heterogeneity, performance gaps are observed between generic (one-size-fits-all) models and person-specific models in data-driven health applications. However, in real-world applications, generic models are usually more favorable due to new-user-adaptation issues and system complexities, etc. To improve the performance of the generic model, we propose a representation learning framework that learns participant-invariant representations, named PiRL. The proposed framework utilizes maximum mean discrepancy (MMD) loss and domain-adversarial training to encourage the model to learn participant-invariant representations. Further, a triplet loss, which constrains the model for inter-class alignment of the representations, is utilized to optimize the learned representations for downstream health applications. We evaluated our frameworks on two public datasets related to physical and mental health, for detecting sleep apnea and stress, respectively. As preliminary results, we found the proposed approach shows around a 5% increase in accuracy compared to the baseline.

Prototypical network for Few shot learning tries to learn an embedding function in the encoder that embeds images with similar features close to one another in the embedding space. However, in this process, the support set samples for a task are embedded independently of one other, and hence, the inter-class closeness is not taken into account. Thus, in the presence of similar-looking classes in a task, the embeddings will tend to be close to each other in the embedding space and even possibly overlap in some regions, which is not desirable for classification. In this paper, we propose an approach that intuitively pushes the embeddings of each of the classes away from the others in the meta-testing phase, thereby grouping them closely based on the distinct class labels rather than only the similarity of spatial features. This is achieved by training the encoder network for classification using the support set samples and labels of the new task. Extensive experiments conducted on benchmark data sets show improvements in meta-testing accuracy when compared with Prototypical Networks and also other standard few-shot learning models.

A transfer learning paradigm is proposed for "knowledge" transfer between the human brain and convolutional neural network (CNN) for a construction hazard categorization task. Participants' brain activities are recorded using electroencephalogram (EEG) measurements when viewing the same images (target dataset) as the CNN. The CNN is pretrained on the EEG data and then fine-tuned on the construction scene images. The results reveal that the EEG-pretrained CNN achieves a 9 % higher accuracy compared with a network with same architecture but randomly initialized parameters on a three-class classification task. Brain activity from the left frontal cortex exhibits the highest performance gains, thus indicating high-level cognitive processing during hazard recognition. This work is a step toward improving machine learning algorithms by learning from human-brain signals recorded via a commercially available brain-computer interface. More generalized visual recognition systems can be effectively developed based on this approach of "keep human in the loop".

Policy makers need to predict the progression of an outcome before adopting a new treatment policy, which defines when and how a sequence of treatments affecting the outcome occurs in continuous time. Commonly, algorithms that predict interventional future outcome trajectories take a fixed sequence of future treatments as input. This either neglects the dependence of future treatments on outcomes preceding them or implicitly assumes the treatment policy is known, and hence excludes scenarios where the policy is unknown or a counterfactual analysis is needed. To handle these limitations, we develop a joint model for treatments and outcomes, which allows for the estimation of treatment policies and effects from sequential treatment--outcome data. It can answer interventional and counterfactual queries about interventions on treatment policies, as we show with real-world data on blood glucose progression and a simulation study building on top of this.

Finding an initial noise vector that produces an input image when fed into the diffusion process (known as inversion) is an important problem in denoising diffusion models (DDMs), with applications for real image editing. The state-of-the-art approach for real image editing with inversion uses denoising diffusion implicit models (DDIMs) to deterministically noise the image to the intermediate state along the path that the denoising would follow given the original conditioning. However, DDIM inversion for real images is unstable as it relies on local linearization assumptions, which result in the propagation of errors, leading to incorrect image reconstruction and loss of content. To alleviate these problems, we propose Exact Diffusion Inversion via Coupled Transformations (EDICT), an inversion method that draws inspiration from affine coupling layers. EDICT enables mathematically exact inversion of real and model-generated images by maintaining two coupled noise vectors which are used to invert each other in an alternating fashion. Using Stable Diffusion, a state-of-the-art latent diffusion model, we demonstrate that EDICT successfully reconstructs real images with high fidelity. On complex image datasets like MS-COCO, EDICT reconstruction significantly outperforms DDIM, improving the mean square error of reconstruction by a factor of two. Using noise vectors inverted from real images, EDICT enables a wide range of image edits--from local and global semantic edits to image stylization--while maintaining fidelity to the original image structure. EDICT requires no model training/finetuning, prompt tuning, or extra data and can be combined with any pretrained DDM. Code will be made available shortly.

Scoring systems, as a type of predictive model, have significant advantages in interpretability and transparency and facilitate quick decision-making. As such, scoring systems have been extensively used in a wide variety of industries such as healthcare and criminal justice. However, the fairness issues in these models have long been criticized, and the use of big data and machine learning algorithms in the construction of scoring systems heightens this concern. In this paper, we propose a general framework to create fairness-aware, data-driven scoring systems. First, we develop a social welfare function that incorporates both efficiency and group fairness. Then, we transform the social welfare maximization problem into the risk minimization task in machine learning, and derive a fairness-aware scoring system with the help of mixed integer programming. Lastly, several theoretical bounds are derived for providing parameter selection suggestions. Our proposed framework provides a suitable solution to address group fairness concerns in the development of scoring systems. It enables policymakers to set and customize their desired fairness requirements as well as other application-specific constraints. We test the proposed algorithm with several empirical data sets. Experimental evidence supports the effectiveness of the proposed scoring system in achieving the optimal welfare of stakeholders and in balancing the needs for interpretability, fairness, and efficiency.

Weak supervision is leveraged in a wide range of domains and tasks due to its ability to create massive amounts of labeled data, requiring only little manual effort. Standard approaches use labeling functions to specify signals that are relevant for the labeling. It has been conjectured that weakly supervised models over-rely on those signals and as a result suffer from overfitting. To verify this assumption, we introduce a novel method, XPASC (eXPlainability-Association SCore), for measuring the generalization of a model trained with a weakly supervised dataset. Considering the occurrences of features, classes and labeling functions in a dataset, XPASC takes into account the relevance of each feature for the predictions of the model as well as the associations of the feature with the class and the labeling function, respectively. The association in XPASC can be measured in two variants: XPASC-CHI SQAURE measures associations relative to their statistical significance, while XPASC-PPMI measures association strength more generally. We use XPASC to analyze KnowMAN, an adversarial architecture intended to control the degree of generalization from the labeling functions and thus to mitigate the problem of overfitting. On one hand, we show that KnowMAN is able to control the degree of generalization through a hyperparameter. On the other hand, results and qualitative analysis show that generalization and performance do not relate one-to-one, and that the highest degree of generalization does not necessarily imply the best performance. Therefore methods that allow for controlling the amount of generalization can achieve the right degree of benign overfitting. Our contributions in this study are i) the XPASC score to measure generalization in weakly-supervised models, ii) evaluation of XPASC across datasets and models and iii) the release of the XPASC implementation.

Social networking sites, blogs, and online articles are instant sources of news for internet users globally. However, in the absence of strict regulations mandating the genuineness of every text on social media, it is probable that some of these texts are fake news or rumours. Their deceptive nature and ability to propagate instantly can have an adverse effect on society. This necessitates the need for more effective detection of fake news and rumours on the web. In this work, we annotate four fake news detection and rumour detection datasets with their emotion class labels using transfer learning. We show the correlation between the legitimacy of a text with its intrinsic emotion for fake news and rumour detection, and prove that even within the same emotion class, fake and real news are often represented differently, which can be used for improved feature extraction. Based on this, we propose a multi-task framework for fake news and rumour detection, predicting both the emotion and legitimacy of the text. We train a variety of deep learning models in single-task and multi-task settings for a more comprehensive comparison. We further analyze the performance of our multi-task approach for fake news detection in cross-domain settings to verify its efficacy for better generalization across datasets, and to verify that emotions act as a domain-independent feature. Experimental results verify that our multi-task models consistently outperform their single-task counterparts in terms of accuracy, precision, recall, and F1 score, both for in-domain and cross-domain settings. We also qualitatively analyze the difference in performance in single-task and multi-task learning models.

Traffic4cast is an annual competition to predict spatio temporal traffic based on real world data. We propose an approach using Graph Neural Networks that directly works on the road graph topology which was extracted from OpenStreetMap data. Our architecture can incorporate a hierarchical graph representation to improve the information flow between key intersections of the graph and the shortest paths connecting them. Furthermore, we investigate how the road graph can be compacted to ease the flow of information and make use of a multi-task approach to predict congestion classes and ETA simultaneously. Our code and models are released here: https://github.com/floriangroetschla/NeurIPS2022-traffic4cast

This paper proposes new algorithms for the metric learning problem. We start by noticing that several classical metric learning formulations from the literature can be viewed as modified covariance matrix estimation problems. Leveraging this point of view, a general approach, called Robust Geometric Metric Learning (RGML), is then studied. This method aims at simultaneously estimating the covariance matrix of each class while shrinking them towards their (unknown) barycenter. We focus on two specific costs functions: one associated with the Gaussian likelihood (RGML Gaussian), and one with Tyler's M -estimator (RGML Tyler). In both, the barycenter is defined with the Riemannian distance, which enjoys nice properties of geodesic convexity and affine invariance. The optimization is performed using the Riemannian geometry of symmetric positive definite matrices and its submanifold of unit determinant. Finally, the performance of RGML is asserted on real datasets. Strong performance is exhibited while being robust to mislabeled data.

Data-driven approaches, including deep learning, have shown great promise as surrogate models across many domains. These extend to various areas in sustainability. An interesting direction for which data-driven methods have not been applied much yet is in the quick quantitative evaluation of urban layouts for planning and design. In particular, urban designs typically involve complex trade-offs between multiple objectives, including limits on urban build-up and/or consideration of urban heat island effect. Hence, it can be beneficial to urban planners to have a fast surrogate model to predict urban characteristics of a hypothetical layout, e.g. pedestrian-level wind velocity, without having to run computationally expensive and time-consuming high-fidelity numerical simulations. This fast surrogate can then be potentially integrated into other design optimization frameworks, including generative models or other gradient-based methods. Here we present the use of CNNs for urban layout characterization that is typically done via high-fidelity numerical simulation. We further apply this model towards a first demonstration of its utility for data-driven pedestrian-level wind velocity prediction. The data set in this work comprises results from high-fidelity numerical simulations of wind velocities for a diverse set of realistic urban layouts, based on randomized samples from a real-world, highly built-up urban city. We then provide prediction results obtained from the trained CNN, demonstrating test errors of under 0.1 m/s for previously unseen urban layouts. We further illustrate how this can be useful for purposes such as rapid evaluation of pedestrian wind velocity for a potential new layout. It is hoped that this data set will further accelerate research in data-driven urban AI, even as our baseline model facilitates quantitative comparison to future methods.

Graph is powerful for representing various types of real-world data. The topology (edges' presence) and edges' features of a graph decides the message passing mechanism among vertices within the graph. While most existing approaches only manually define a single-value edge to describe the connectivity or strength of association between a pair of vertices, task-specific and crucial relationship cues may be disregarded by such manually defined topology and single-value edge features. In this paper, we propose the first general graph representation learning framework (called GRATIS) which can generate a strong graph representation with a task-specific topology and task-specific multi-dimensional edge features from any arbitrary input. To learn each edge's presence and multi-dimensional feature, our framework takes both of the corresponding vertices pair and their global contextual information into consideration, enabling the generated graph representation to have a globally optimal message passing mechanism for different down-stream tasks. The principled investigation results achieved for various graph analysis tasks on 11 graph and non-graph datasets show that our GRATIS can not only largely enhance pre-defined graphs but also learns a strong graph representation for non-graph data, with clear performance improvements on all tasks. In particular, the learned topology and multi-dimensional edge features provide complementary task-related cues for graph analysis tasks. Our framework is effective, robust and flexible, and is a plug-and-play module that can be combined with different backbones and Graph Neural Networks (GNNs) to generate a task-specific graph representation from various graph and non-graph data. Our code is made publicly available at https://github.com/SSYSteve/Learning-Graph-Representation-with-Task-specific-Topology-and-Multi-dimensional-Edge-Features.

Robustness in deep neural networks and machine learning algorithms in general is an open research challenge. In particular, it is difficult to ensure algorithmic performance is maintained on out-of-distribution inputs or anomalous instances that cannot be anticipated at training time. Embodied agents will be deployed in these conditions, and are likely to make incorrect predictions. An agent will be viewed as untrustworthy unless it can maintain its performance in dynamic environments. Most robust training techniques aim to improve model accuracy on perturbed inputs; as an alternate form of robustness, we aim to reduce the severity of mistakes made by neural networks in challenging conditions. We leverage current adversarial training methods to generate targeted adversarial attacks during the training process in order to increase the semantic similarity between a model's predictions and true labels of misclassified instances. Results demonstrate that our approach performs better with respect to mistake severity compared to standard and adversarially trained models. We also find an intriguing role that non-robust features play with regards to semantic similarity.

Due to the increasing computational demand of Deep Neural Networks (DNNs), companies and organizations have begun to outsource the training process. However, the externally trained DNNs can potentially be backdoor attacked. It is crucial to defend against such attacks, i.e., to postprocess a suspicious model so that its backdoor behavior is mitigated while its normal prediction power on clean inputs remain uncompromised. To remove the abnormal backdoor behavior, existing methods mostly rely on additional labeled clean samples. However, such requirement may be unrealistic as the training data are often unavailable to end users. In this paper, we investigate the possibility of circumventing such barrier. We propose a novel defense method that does not require training labels. Through a carefully designed layer-wise weight re-initialization and knowledge distillation, our method can effectively cleanse backdoor behaviors of a suspicious network {with negligible compromise in} its normal behavior. In experiments, we show that our method, trained without labels, is on-par with state-of-the-art defense methods trained using labels. We also observe promising defense results even on out-of-distribution data. This makes our method very practical.

The ability to discover optimal behaviour from fixed data sets has the potential to transfer the successes of reinforcement learning (RL) to domains where data collection is acutely problematic. In this offline setting, a key challenge is overcoming overestimation bias for actions not present in data which, without the ability to correct for via interaction with the environment, can propagate and compound during training, leading to highly sub-optimal policies. One simple method to reduce this bias is to introduce a policy constraint via behavioural cloning (BC), which encourages agents to pick actions closer to the source data. By finding the right balance between RL and BC such approaches have been shown to be surprisingly effective while requiring minimal changes to the underlying algorithms they are based on. To date this balance has been held constant, but in this work we explore the idea of tipping this balance towards RL following initial training. Using TD3-BC, we demonstrate that by continuing to train a policy offline while reducing the influence of the BC component we can produce refined policies that outperform the original baseline, as well as match or exceed the performance of more complex alternatives. Furthermore, we demonstrate such an approach can be used for stable online fine-tuning, allowing policies to be safely improved during deployment.

We present CrissCross, a self-supervised framework for learning audio-visual representations. A novel notion is introduced in our framework whereby in addition to learning the intra-modal and standard 'synchronous' cross-modal relations, CrissCross also learns 'asynchronous' cross-modal relationships. We perform in-depth studies showing that by relaxing the temporal synchronicity between the audio and visual modalities, the network learns strong generalized representations useful for a variety of downstream tasks. To pretrain our proposed solution, we use 3 different datasets with varying sizes, Kinetics-Sound, Kinetics400, and AudioSet. The learned representations are evaluated on a number of downstream tasks namely action recognition, sound classification, and action retrieval. Our experiments show that CrissCross either outperforms or achieves performances on par with the current state-of-the-art self-supervised methods on action recognition and action retrieval with UCF101 and HMDB51, as well as sound classification with ESC50 and DCASE. Moreover, CrissCross outperforms fully-supervised pretraining while pretrained on Kinetics-Sound. The codes and pretrained models are available on the project website.

Much recent work has been devoted to the problem of ensuring that a neural network's confidence scores match the true probability of being correct, i.e. the calibration problem. Of note, it was found that training with focal loss leads to better calibration than cross-entropy while achieving similar level of accuracy \cite{mukhoti2020}. This success stems from focal loss regularizing the entropy of the model's prediction (controlled by the parameter $\gamma$), thereby reining in the model's overconfidence. Further improvement is expected if $\gamma$ is selected independently for each training sample (Sample-Dependent Focal Loss (FLSD-53) \cite{mukhoti2020}). However, FLSD-53 is based on heuristics and does not generalize well. In this paper, we propose a calibration-aware adaptive focal loss called AdaFocal that utilizes the calibration properties of focal (and inverse-focal) loss and adaptively modifies $\gamma_t$ for different groups of samples based on $\gamma_{t-1}$ from the previous step and the knowledge of model's under/over-confidence on the validation set. We evaluate AdaFocal on various image recognition and one NLP task, covering a wide variety of network architectures, to confirm the improvement in calibration while achieving similar levels of accuracy. Additionally, we show that models trained with AdaFocal achieve a significant boost in out-of-distribution detection.

Reinforcement learning (RL) agents are particularly hard to train when rewards are sparse. One common solution is to use intrinsic rewards to encourage agents to explore their environment. However, recent intrinsic exploration methods often use state-based novelty measures which reward low-level exploration and may not scale to domains requiring more abstract skills. Instead, we explore natural language as a general medium for highlighting relevant abstractions in an environment. Unlike previous work, we evaluate whether language can improve over existing exploration methods by directly extending (and comparing to) competitive intrinsic exploration baselines: AMIGo (Campero et al., 2021) and NovelD (Zhang et al., 2021). These language-based variants outperform their non-linguistic forms by 47-85% across 13 challenging tasks from the MiniGrid and MiniHack environment suites.

We consider the ubiquitous linear inverse problems with additive Gaussian noise and propose an unsupervised general-purpose sampling approach called diffusion model based posterior sampling (DMPS) to reconstruct the unknown signal from noisy linear measurements. Specifically, the prior of the unknown signal is implicitly modeled by one pre-trained diffusion model (DM). In posterior sampling, to address the intractability of exact noise-perturbed likelihood score, a simple yet effective noise-perturbed pseudo-likelihood score is introduced under the uninformative prior assumption. While DMPS applies to any kind of DM with proper modifications, we focus on the ablated diffusion model (ADM) as one specific example and evaluate its efficacy on a variety of linear inverse problems such as image super-resolution, denoising, deblurring, colorization. Experimental results demonstrate that, for both in-distribution and out-of-distribution samples, DMPS achieves highly competitive or even better performances on various tasks while being 3 times faster than the leading competitor. The code to reproduce the results is available at https://github.com/mengxiangming/dmps.

The classification of internet traffic has become increasingly important due to the rapid growth of today's networks and applications. The number of connections and the addition of new applications in our networks causes a vast amount of log data and complicates the search for common patterns by experts. Finding such patterns among specific classes of applications is necessary to fulfill various requirements in network analytics. Deep learning methods provide both feature extraction and classification from data in a single system. However, these networks are very complex and are used as black-box models, which weakens the experts' trust in the classifications. Moreover, by using them as a black-box, new knowledge cannot be obtained from the model predictions despite their excellent performance. Therefore, the explainability of the classifications is crucial. Besides increasing trust, the explanation can be used for model evaluation gaining new insights from the data and improving the model. In this paper, we present a visual interactive tool that combines the classification of network data with an explanation technique to form an interface between experts, algorithms, and data.

In this paper, we attempt to detect an inflection or change-point resulting from the Covid-19 pandemic on supply chain data received from a large furniture company. To accomplish this, we utilize a modified CUSUM (Cumulative Sum) procedure on the company's spatial-temporal order data as well as a GLR (Generalized Likelihood Ratio) based method. We model the order data using the Hawkes Process Network, a multi-dimensional self and mutually exciting point process, by discretizing the spatial data and treating each order as an event that has a corresponding node and time. We apply the methodologies on the company's most ordered item on a national scale and perform a deep dive into a single state. Because the item was ordered infrequently in the state compared to the nation, this approach allows us to show efficacy upon different degrees of data sparsity. Furthermore, it showcases use potential across differing levels of spatial detail.

Recent works suggest that transformer models are capable of multi-tasking on diverse NLP tasks and adapting to new tasks efficiently. However, the potential of these multi-task models may be limited as they use the same set of parameters for all tasks. In contrast, humans tackle tasks in a more flexible way, by making proper presumptions on what skills and knowledge are relevant and executing only the necessary computations. Inspired by this, we propose to use task-level mixture-of-expert models, which has a collection of transformer layers (i.e., experts) and a router component that chooses from these experts dynamically and flexibly. We find that these models help improve the average performance gain (ARG) metric by 2.6% when adapting to unseen tasks in the few-shot setting and by 5.6% in the zero-shot generalization setting. Further, we show that the learned routing decisions partly rediscover human categorization of NLP tasks -- certain experts are strongly associated with extractive tasks, some with classification tasks, and some with tasks requiring world knowledge.

We propose a routing algorithm that takes a sequence vectors and computes a new sequence with specified length and vector size. Each output vector maximizes ``bang per bit,'' the difference between a net benefit to use and net cost to ignore data, by better predicting the input vectors. We describe output vectors as geometric objects, as latent variables that assign credit, as query states in a model of associative memory, and as agents in a model of a Society of Mind. We implement the algorithm with optimizations that reduce parameter count, computation, and memory use by orders of magnitude, enabling us to route sequences of greater length than previously possible. We evaluate our implementation on natural language and visual classification tasks, obtaining competitive or state-of-the-art accuracy and end-to-end credit assignments that are interpretable.

We present a machine sound dataset to benchmark domain generalization techniques for anomalous sound detection (ASD). Domain shifts are differences in data distributions that can degrade the detection performance, and handling them is a major issue for the application of ASD systems. While currently available datasets for ASD tasks assume that occurrences of domain shifts are known, in practice, they can be difficult to detect. To handle such domain shifts, domain generalization techniques that perform well regardless of the domains should be investigated. In this paper, we present the first ASD dataset for the domain generalization techniques, called MIMII DG. The dataset consists of five machine types and three domain shift scenarios for each machine type. The dataset is dedicated to the domain generalization task with features such as multiple different values for parameters that cause domain shifts and introduction of domain shifts that can be difficult to detect, such as shifts in the background noise. Experimental results using two baseline systems indicate that the dataset reproduces domain shift scenarios and is useful for benchmarking domain generalization techniques.

We present AERO, a audio super-resolution model that processes speech and music signals in the spectral domain. AERO is based on an encoder-decoder architecture with U-Net like skip connections. We optimize the model using both time and frequency domain loss functions. Specifically, we consider a set of reconstruction losses together with perceptual ones in the form of adversarial and feature discriminator loss functions. To better handle phase information the proposed method operates over the complex-valued spectrogram using two separate channels. Unlike prior work which mainly considers low and high frequency concatenation for audio super-resolution, the proposed method directly predicts the full frequency range. We demonstrate high performance across a wide range of sample rates considering both speech and music. AERO outperforms the evaluated baselines considering Log-Spectral Distance, ViSQOL, and the subjective MUSHRA test. Audio samples and code are available at https://pages.cs.huji.ac.il/adiyoss-lab/aero

Large-scale commercial platforms usually involve numerous business domains for diverse business strategies and expect their recommendation systems to provide click-through rate (CTR) predictions for multiple domains simultaneously. Existing promising and widely-used multi-domain models discover domain relationships by explicitly constructing domain-specific networks, but the computation and memory boost significantly with the increase of domains. To reduce computational complexity, manually grouping domains with particular business strategies is common in industrial applications. However, this pre-defined data partitioning way heavily relies on prior knowledge, and it may neglect the underlying data distribution of each domain, hence limiting the model's representation capability. Regarding the above issues, we propose an elegant and flexible multi-distribution modeling paradigm, named Adaptive Distribution Hierarchical Model (AdaptDHM), which is an end-to-end optimization hierarchical structure consisting of a clustering process and classification process. Specifically, we design a distribution adaptation module with a customized dynamic routing mechanism. Instead of introducing prior knowledge for pre-defined data allocation, this routing algorithm adaptively provides a distribution coefficient for each sample to determine which cluster it belongs to. Each cluster corresponds to a particular distribution so that the model can sufficiently capture the commonalities and distinctions between these distinct clusters. Extensive experiments on both public and large-scale Alibaba industrial datasets verify the effectiveness and efficiency of AdaptDHM: Our model achieves impressive prediction accuracy and its time cost during the training stage is more than 50% less than that of other models.

Contrastive learning (CL), a self-supervised learning approach, can effectively learn visual representations from unlabeled data. Given the CL training data, generative models can be trained to generate synthetic data to supplement the real data. Using both synthetic and real data for CL training has the potential to improve the quality of learned representations. However, synthetic data usually has lower quality than real data, and using synthetic data may not improve CL compared with using real data. To tackle this problem, we propose a data generation framework with two methods to improve CL training by joint sample generation and contrastive learning. The first approach generates hard samples for the main model. The generator is jointly learned with the main model to dynamically customize hard samples based on the training state of the main model. Besides, a pair of data generators are proposed to generate similar but distinct samples as positive pairs. In joint learning, the hardness of a positive pair is progressively increased by decreasing their similarity. Experimental results on multiple datasets show superior accuracy and data efficiency of the proposed data generation methods applied to CL. For example, about 4.0%, 3.5%, and 2.6% accuracy improvements for linear classification are observed on ImageNet-100, CIFAR-100, and CIFAR-10, respectively. Besides, up to 2x data efficiency for linear classification and up to 5x data efficiency for transfer learning are achieved.

This work presents two astonishing findings on neural networks learned for large-scale image classification. 1) Given a well-trained model, the logits predicted for some category can be directly obtained by linearly combining the predictions of a few other categories, which we call \textbf{neural dependency}. 2) Neural dependencies exist not only within a single model, but even between two independently learned models, regardless of their architectures. Towards a theoretical analysis of such phenomena, we demonstrate that identifying neural dependencies is equivalent to solving the Covariance Lasso (CovLasso) regression problem proposed in this paper. Through investigating the properties of the problem solution, we confirm that neural dependency is guaranteed by a redundant logit covariance matrix, which condition is easily met given massive categories, and that neural dependency is highly sparse, implying that one category correlates to only a few others. We further empirically show the potential of neural dependencies in understanding internal data correlations, generalizing models to unseen categories, and improving model robustness with a dependency-derived regularizer. Code for this work will be made publicly available.

We study the problem of (learning) algorithm comparison, where the goal is to find differences between models trained with two different learning algorithms. We begin by formalizing this goal as one of finding distinguishing feature transformations, i.e., input transformations that change the predictions of models trained with one learning algorithm but not the other. We then present ModelDiff, a method that leverages the datamodels framework (Ilyas et al., 2022) to compare learning algorithms based on how they use their training data. We demonstrate ModelDiff through three case studies, comparing models trained with/without data augmentation, with/without pre-training, and with different SGD hyperparameters. Our code is available at https://github.com/MadryLab/modeldiff .

We design and implement an adaptive experiment (a ``contextual bandit'') to learn a targeted treatment assignment policy, where the goal is to use a participant's survey responses to determine which charity to expose them to in a donation solicitation. The design balances two competing objectives: optimizing the outcomes for the subjects in the experiment (``cumulative regret minimization'') and gathering data that will be most useful for policy learning, that is, for learning an assignment rule that will maximize welfare if used after the experiment (``simple regret minimization''). We evaluate alternative experimental designs by collecting pilot data and then conducting a simulation study. Next, we implement our selected algorithm. Finally, we perform a second simulation study anchored to the collected data that evaluates the benefits of the algorithm we chose. Our first result is that the value of a learned policy in this setting is higher when data is collected via a uniform randomization rather than collected adaptively using standard cumulative regret minimization or policy learning algorithms. We propose a simple heuristic for adaptive experimentation that improves upon uniform randomization from the perspective of policy learning at the expense of increasing cumulative regret relative to alternative bandit algorithms. The heuristic modifies an existing contextual bandit algorithm by (i) imposing a lower bound on assignment probabilities that decay slowly so that no arm is discarded too quickly, and (ii) after adaptively collecting data, restricting policy learning to select from arms where sufficient data has been gathered.

Graph Neural Networks (GNNs) have boosted the performance for many graph-related tasks. Despite the great success, recent studies have shown that GNNs are highly vulnerable to adversarial attacks, where adversaries can mislead the GNNs' prediction by modifying graphs. On the other hand, the explanation of GNNs (GNNExplainer) provides a better understanding of a trained GNN model by generating a small subgraph and features that are most influential for its prediction. In this paper, we first perform empirical studies to validate that GNNExplainer can act as an inspection tool and have the potential to detect the adversarial perturbations for graphs. This finding motivates us to further initiate a new problem investigation: Whether a graph neural network and its explanations can be jointly attacked by modifying graphs with malicious desires? It is challenging to answer this question since the goals of adversarial attacks and bypassing the GNNExplainer essentially contradict each other. In this work, we give a confirmative answer to this question by proposing a novel attack framework (GEAttack), which can attack both a GNN model and its explanations by simultaneously exploiting their vulnerabilities. Extensive experiments on two explainers (GNNExplainer and PGExplainer) under various real-world datasets demonstrate the effectiveness of the proposed method.

The last decade witnessed a growing interest in Bayesian learning. Yet, the technicality of the topic and the multitude of ingredients involved therein, besides the complexity of turning theory into practical implementations, limit the use of the Bayesian learning paradigm, preventing its widespread adoption across different fields and applications. This self-contained survey engages and introduces readers to the principles and algorithms of Bayesian Learning for Neural Networks. It provides an introduction to the topic from an accessible, practical-algorithmic perspective. Upon providing a general introduction to Bayesian Neural Networks, we discuss and present both standard and recent approaches for Bayesian inference, with an emphasis on solutions relying on Variational Inference and the use of Natural gradients. We also discuss the use of manifold optimization as a state-of-the-art approach to Bayesian learning. We examine the characteristic properties of all the discussed methods, and provide pseudo-codes for their implementation, paying attention to practical aspects, such as the computation of the gradients

Mobile UI understanding is important for enabling various interaction tasks such as UI automation and accessibility. Previous mobile UI modeling often depends on the view hierarchy information of a screen, which directly provides the structural data of the UI, with the hope to bypass challenging tasks of visual modeling from screen pixels. However, view hierarchies are not always available, and are often corrupted with missing object descriptions or misaligned structure information. As a result, despite the use of view hierarchies could offer short-term gains, it may ultimately hinder the applicability and performance of the model. In this paper, we propose \textit{Spotlight}, a vision-only approach for mobile UI understanding. Specifically, we enhance a vision-language model that only takes the screenshot of the UI and a region of interest on the screen -- the focus -- as the input. This general architecture is easily scalable and capable of performing a range of UI modeling tasks. Our experiments show that our model establishes SoTA results on several representative UI tasks and outperforms previous methods that use both screenshots and view hierarchies as inputs. Furthermore, we explore multi-task learning and few-shot prompting capacities of the proposed models, demonstrating promising results in the multi-task learning direction.

Deep learning has been successfully applied to recognizing both natural images and medical images. However, there remains a gap in recognizing 3D neuroimaging data, especially for psychiatric diseases such as schizophrenia and depression that have no visible alteration in specific slices. In this study, we propose to process the 3D data by a 2+1D framework so that we can exploit the powerful deep 2D Convolutional Neural Network (CNN) networks pre-trained on the huge ImageNet dataset for 3D neuroimaging recognition. Specifically, 3D volumes of Magnetic Resonance Imaging (MRI) metrics (grey matter, white matter, and cerebrospinal fluid) are decomposed to 2D slices according to neighboring voxel positions and inputted to 2D CNN models pre-trained on the ImageNet to extract feature maps from three views (axial, coronal, and sagittal). Global pooling is applied to remove redundant information as the activation patterns are sparsely distributed over feature maps. Channel-wise and slice-wise convolutions are proposed to aggregate the contextual information in the third view dimension unprocessed by the 2D CNN model. Multi-metric and multi-view information are fused for final prediction. Our approach outperforms handcrafted feature-based machine learning, deep feature approach with a support vector machine (SVM) classifier and 3D CNN models trained from scratch with better cross-validation results on publicly available Northwestern University Schizophrenia Dataset and the results are replicated on another independent dataset.

Mining genuine mechanisms underlying the complex data generation process in real-world systems is a fundamental step in promoting interpretability of, and thus trust in, data-driven models. Therefore, we propose a variation-based cause effect identification (VCEI) framework for causal discovery in bivariate systems from a single observational setting. Our framework relies on the principle of independence of cause and mechanism (ICM) under the assumption of an existing acyclic causal link, and offers a practical realization of this principle. Principally, we artificially construct two settings in which the marginal distributions of one covariate, claimed to be the cause, are guaranteed to have non-negligible variations. This is achieved by re-weighting samples of the marginal so that the resultant distribution is notably distinct from this marginal according to some discrepancy measure. In the causal direction, such variations are expected to have no impact on the effect generation mechanism. Therefore, quantifying the impact of these variations on the conditionals reveals the genuine causal direction. Moreover, we formulate our approach in the kernel-based maximum mean discrepancy, lifting all constraints on the data types of cause-and-effect covariates, and rendering such artificial interventions a convex optimization problem. We provide a series of experiments on real and synthetic data showing that VCEI is, in principle, competitive to other cause effect identification frameworks.

Using a text description as prompt to guide the generation of text or images (e.g., GPT-3 or DALLE-2) has drawn wide attention recently. Beyond text and image generation, in this work, we explore the possibility of utilizing text descriptions to guide speech synthesis. Thus, we develop a text-to-speech (TTS) system (dubbed as PromptTTS) that takes a prompt with both style and content descriptions as input to synthesize the corresponding speech. Specifically, PromptTTS consists of a style encoder and a content encoder to extract the corresponding representations from the prompt, and a speech decoder to synthesize speech according to the extracted style and content representations. Compared with previous works in controllable TTS that require users to have acoustic knowledge to understand style factors such as prosody and pitch, PromptTTS is more user-friendly since text descriptions are a more natural way to express speech style (e.g., ''A lady whispers to her friend slowly''). Given that there is no TTS dataset with prompts, to benchmark the task of PromptTTS, we construct and release a dataset containing prompts with style and content information and the corresponding speech. Experiments show that PromptTTS can generate speech with precise style control and high speech quality. Audio samples and our dataset are publicly available.

Transfer learning schemes based on deep networks which have been trained on huge image corpora offer state-of-the-art technologies in computer vision. Here, supervised and semi-supervised approaches constitute efficient technologies which work well with comparably small data sets. Yet, such applications are currently restricted to application domains where suitable deepnetwork models are readily available. In this contribution, we address an important application area in the domain of biotechnology, the automatic analysis of CHO-K1 suspension growth in microfluidic single-cell cultivation, where data characteristics are very dissimilar to existing domains and trained deep networks cannot easily be adapted by classical transfer learning. We propose a novel transfer learning scheme which expands a recently introduced Twin-VAE architecture, which is trained on realistic and synthetic data, and we modify its specialized training procedure to the transfer learning domain. In the specific domain, often only few to no labels exist and annotations are costly. We investigate a novel transfer learning strategy, which incorporates a simultaneous retraining on natural and synthetic data using an invariant shared representation as well as suitable target variables, while it learns to handle unseen data from a different microscopy tech nology. We show the superiority of the variation of our Twin-VAE architecture over the state-of-the-art transfer learning methodology in image processing as well as classical image processing technologies, which persists, even with strongly shortened training times and leads to satisfactory results in this domain. The source code is available at https://github.com/dstallmann/transfer_learning_twinvae, works cross-platform, is open-source and free (MIT licensed) software. We make the data sets available at https://pub.uni-bielefeld.de/record/2960030.

In recent years, deep learning approaches have achieved state-of-the-art results in the analysis of point cloud data. In cosmology, galaxy redshift surveys resemble such a permutation invariant collection of positions in space. These surveys have so far mostly been analysed with two-point statistics, such as power spectra and correlation functions. The usage of these summary statistics is best justified on large scales, where the density field is linear and Gaussian. However, in light of the increased precision expected from upcoming surveys, the analysis of -- intrinsically non-Gaussian -- small angular separations represents an appealing avenue to better constrain cosmological parameters. In this work, we aim to improve upon two-point statistics by employing a \textit{PointNet}-like neural network to regress the values of the cosmological parameters directly from point cloud data. Our implementation of PointNets can analyse inputs of $\mathcal{O}(10^4) - \mathcal{O}(10^5)$ galaxies at a time, which improves upon earlier work for this application by roughly two orders of magnitude. Additionally, we demonstrate the ability to analyse galaxy redshift survey data on the lightcone, as opposed to previously static simulation boxes at a given fixed redshift.

This paper proposes a method for measuring fairness through equality of effort by applying algorithmic recourse through minimal interventions. Equality of effort is a property that can be quantified at both the individual and the group level. It answers the counterfactual question: what is the minimal cost for a protected individual or the average minimal cost for a protected group of individuals to reverse the outcome computed by an automated system? Algorithmic recourse increases the flexibility and applicability of the notion of equal effort: it overcomes its previous limitations by reconciling multiple treatment variables, introducing feasibility and plausibility constraints, and integrating the actual relative costs of interventions. We extend the existing definition of equality of effort and present an algorithm for its assessment via algorithmic recourse. We validate our approach both on synthetic data and on the German credit dataset.

Heat waves are projected to increase in frequency and severity with global warming. Improved warning systems would help reduce the associated loss of lives, wildfires, power disruptions, and reduction in crop yields. In this work, we explore the potential for deep learning systems trained on historical data to forecast extreme heat on short, medium and subseasonal timescales. To this purpose, we train a set of neural weather models (NWMs) with convolutional architectures to forecast surface temperature anomalies globally, 1 to 28 days ahead, at $\sim200~\mathrm{km}$ resolution and on the cubed sphere. The NWMs are trained using the ERA5 reanalysis product and a set of candidate loss functions, including the mean squared error and exponential losses targeting extremes. We find that training models to minimize custom losses tailored to emphasize extremes leads to significant skill improvements in the heat wave prediction task, compared to NWMs trained on the mean squared error loss. This improvement is accomplished with almost no skill reduction in the general temperature prediction task, and it can be efficiently realized through transfer learning, by re-training NWMs with the custom losses for a few epochs. In addition, we find that the use of a symmetric exponential loss reduces the smoothing of NWM forecasts with lead time. Our best NWM is able to outperform persistence in a regressive sense for all lead times and temperature anomaly thresholds considered, and shows positive regressive skill compared to the ECMWF subseasonal-to-seasonal control forecast after two weeks.

In this paper, we use tools from rate-distortion theory to establish new upper bounds on the generalization error of statistical distributed learning algorithms. Specifically, there are $K$ clients whose individually chosen models are aggregated by a central server. The bounds depend on the compressibility of each client's algorithm while keeping other clients' algorithms un-compressed, and leverage the fact that small changes in each local model change the aggregated model by a factor of only $1/K$. Adopting a recently proposed approach by Sefidgaran et al., and extending it suitably to the distributed setting, this enables smaller rate-distortion terms which are shown to translate into tighter generalization bounds. The bounds are then applied to the distributed support vector machines (SVM), suggesting that the generalization error of the distributed setting decays faster than that of the centralized one with a factor of $\mathcal{O}(\log(K)/\sqrt{K})$. This finding is validated also experimentally. A similar conclusion is obtained for a multiple-round federated learning setup where each client uses stochastic gradient Langevin dynamics (SGLD).

Physics-Informed Neural Networks (PINNs) have been shown to be an effective way of incorporating physics-based domain knowledge into neural network models for many important real-world systems. They have been particularly effective as a means of inferring system information based on data, even in cases where data is scarce. Most of the current work however assumes the availability of high-quality data. In this work, we further conduct a preliminary investigation of the robustness of physics-informed neural networks to the magnitude of noise in the data. Interestingly, our experiments reveal that the inclusion of physics in the neural network is sufficient to negate the impact of noise in data originating from hypothetical low quality sensors with high signal-to-noise ratios of up to 1. The resultant predictions for this test case are seen to still match the predictive value obtained for equivalent data obtained from high-quality sensors with potentially 10x less noise. This further implies the utility of physics-informed neural network modeling for making sense of data from sensor networks in the future, especially with the advent of Industry 4.0 and the increasing trend towards ubiquitous deployment of low-cost sensors which are typically noisier.

Understanding the fundamental mechanism behind the success of transformer networks is still an open problem in the deep learning literature. Although their remarkable performance has been mostly attributed to the self-attention mechanism, the literature still lacks a solid analysis of these networks and interpretation of the functions learned by them. To this end, we study the training problem of attention/transformer networks and introduce a novel convex analytic approach to improve the understanding and optimization of these networks. Particularly, we first introduce a convex alternative to the self-attention mechanism and reformulate the regularized training problem of transformer networks with our alternative convex attention. Then, we cast the reformulation as a convex optimization problem that is interpretable and easier to optimize. Moreover, as a byproduct of our convex analysis, we reveal an implicit regularization mechanism, which promotes sparsity across tokens. Therefore, we not only improve the optimization of attention/transformer networks but also provide a solid theoretical understanding of the functions learned by them. We also demonstrate the effectiveness of our theory through several numerical experiments.

We introduce the Never Ending VIsual-classification Stream (NEVIS'22), a benchmark consisting of a stream of over 100 visual classification tasks, sorted chronologically and extracted from papers sampled uniformly from computer vision proceedings spanning the last three decades. The resulting stream reflects what the research community thought was meaningful at any point in time. Despite being limited to classification, the resulting stream has a rich diversity of tasks from OCR, to texture analysis, crowd counting, scene recognition, and so forth. The diversity is also reflected in the wide range of dataset sizes, spanning over four orders of magnitude. Overall, NEVIS'22 poses an unprecedented challenge for current sequential learning approaches due to the scale and diversity of tasks, yet with a low entry barrier as it is limited to a single modality and each task is a classical supervised learning problem. Moreover, we provide a reference implementation including strong baselines and a simple evaluation protocol to compare methods in terms of their trade-off between accuracy and compute. We hope that NEVIS'22 can be useful to researchers working on continual learning, meta-learning, AutoML and more generally sequential learning, and help these communities join forces towards more robust and efficient models that efficiently adapt to a never ending stream of data. Implementations have been made available at https://github.com/deepmind/dm_nevis.

Sports analytics has captured increasing attention since analysis of the various data enables insights for training strategies, player evaluation, etc. In this paper, we focus on predicting what types of returning strokes will be made, and where players will move to based on previous strokes. As this problem has not been addressed to date, movement forecasting can be tackled through sequence-based and graph-based models by formulating as a sequence prediction task. However, existing sequence-based models neglect the effects of interactions between players, and graph-based models still suffer from multifaceted perspectives on the next movement. Moreover, there is no existing work on representing strategic relations among players' shot types and movements. To address these challenges, we first introduce the procedure of the Player Movements (PM) graph to exploit the structural movements of players with strategic relations. Based on the PM graph, we propose a novel Dynamic Graphs and Hierarchical Fusion for Movement Forecasting model (DyMF) with interaction style extractors to capture the mutual interactions of players themselves and between both players within a rally, and dynamic players' tactics across time. In addition, hierarchical fusion modules are designed to incorporate the style influence of both players and rally interactions. Extensive experiments show that our model empirically outperforms both sequence- and graph-based methods and demonstrate the practical usage of movement forecasting.

We study Online Continual Learning with missing labels and propose SemiCon, a new contrastive loss designed for partly labeled data. We demonstrate its efficiency by devising a memory-based method trained on an unlabeled data stream, where every data added to memory is labeled using an oracle. Our approach outperforms existing semi-supervised methods when few labels are available, and obtain similar results to state-of-the-art supervised methods while using only 2.6% of labels on Split-CIFAR10 and 10% of labels on Split-CIFAR100.

This paper presents a comprehensive and quality collection of functional human brain network data for potential research in the intersection of neuroscience, machine learning, and graph analytics. Anatomical and functional MRI images of the brain have been used to understand the functional connectivity of the human brain and are particularly important in identifying underlying neurodegenerative conditions such as Alzheimer's, Parkinson's, and Autism. Recently, the study of the brain in the form of brain networks using machine learning and graph analytics has become increasingly popular, especially to predict the early onset of these conditions. A brain network, represented as a graph, retains richer structural and positional information that traditional examination methods are unable to capture. However, the lack of brain network data transformed from functional MRI images prevents researchers from data-driven explorations. One of the main difficulties lies in the complicated domain-specific preprocessing steps and the exhaustive computation required to convert data from MRI images into brain networks. We bridge this gap by collecting a large amount of available MRI images from existing studies, working with domain experts to make sensible design choices, and preprocessing the MRI images to produce a collection of brain network datasets. The datasets originate from 5 different sources, cover 3 neurodegenerative conditions, and consist of a total of 2,642 subjects. We test our graph datasets on 5 machine learning models commonly used in neuroscience and on a recent graph-based analysis model to validate the data quality and to provide domain baselines. To lower the barrier to entry and promote the research in this interdisciplinary field, we release our complete preprocessing details, codes, and brain network data.

Skin cancer is a fatal disease that takes a heavy toll over human lives annually. The colored skin images show a significant degree of resemblance between different skin lesions such as melanoma and nevus, making identification and diagnosis more challenging. Melanocytic nevi may mature to cause fatal melanoma. Therefore, the current management protocol involves the removal of those nevi that appear intimidating. However, this necessitates resilient classification paradigms for classifying benign and malignant melanocytic nevi. Early diagnosis necessitates a dependable automated system for melanocytic nevi classification to render diagnosis efficient, timely, and successful. An automated classification algorithm is proposed in the given research. A neural network previously-trained on a separate problem statement is leveraged in this technique for classifying melanocytic nevus images. The suggested method uses BigTransfer (BiT), a ResNet-based transfer learning approach for classifying melanocytic nevi as malignant or benign. The results obtained are compared to that of current techniques, and the new method's classification rate is proven to outperform that of existing methods.

The act of telling stories is a fundamental part of what it means to be human. This work introduces the concept of narrative information, which we define to be the overlap in information space between a story and the items that compose the story. Using contrastive learning methods, we show how modern artificial neural networks can be leveraged to distill stories and extract a representation of the narrative information. We then demonstrate how evolutionary algorithms can leverage this to extract a set of narrative templates and how these templates -- in tandem with a novel curve-fitting algorithm we introduce -- can reorder music albums to automatically induce stories in them. In the process of doing so, we give strong statistical evidence that these narrative information templates are present in existing albums. While we experiment only with music albums here, the premises of our work extend to any form of (largely) independent media.

Multimodal learning has been a field of increasing interest, aiming to combine various modalities in a single joint representation. Especially in the area of visiolinguistic (VL) learning multiple models and techniques have been developed, targeting a variety of tasks that involve images and text. VL models have reached unprecedented performances by extending the idea of Transformers, so that both modalities can learn from each other. Massive pre-training procedures enable VL models to acquire a certain level of real-world understanding, although many gaps can be identified: the limited comprehension of commonsense, factual, temporal and other everyday knowledge aspects questions the extendability of VL tasks. Knowledge graphs and other knowledge sources can fill those gaps by explicitly providing missing information, unlocking novel capabilities of VL models. In the same time, knowledge graphs enhance explainability, fairness and validity of decision making, issues of outermost importance for such complex implementations. The current survey aims to unify the fields of VL representation learning and knowledge graphs, and provides a taxonomy and analysis of knowledge-enhanced VL models.

Electricity is traded on various markets with different time horizons and regulations. Short-term intraday trading becomes increasingly important due to the higher penetration of renewables. In Germany, the intraday electricity price typically fluctuates around the day-ahead price of the EPEX spot markets in a distinct hourly pattern. This work proposes a probabilistic modeling approach that models the intraday price difference to the day-ahead contracts. The model captures the emerging hourly pattern by considering the four 15min intervals in each day-ahead price interval as a four-dimensional joint probability distribution. The resulting nontrivial, multivariate price difference distribution is learned using a normalizing flow, i.e., a deep generative model that combines conditional multivariate density estimation and probabilistic regression. Furthermore, this work discusses the influence of different external impact factors based on literature insights and impact analysis using explainable artificial intelligence (XAI). The normalizing flow is compared to an informed selection of historical data and probabilistic forecasts using a Gaussian copula and a Gaussian regression model. Among the different models, the normalizing flow identifies the trends with the highest accuracy and has the narrowest prediction intervals. Both the XAI analysis and the empirical experiments highlight that the immediate history of the price difference realization and the increments of the day-ahead price have the most substantial impact on the price difference.

In this paper, we present a novel model-agnostic machine learning technique to extract a reduced thermochemical model for reacting hypersonic flows simulation. A first simulation gathers all relevant thermodynamic states and the corresponding gas properties via a given model. The states are embedded in a low-dimensional space and clustered to identify regions with different levels of thermochemical (non)-equilibrium. Then, a surrogate surface from the reduced cluster-space to the output space is generated using radial-basis-function networks. The method is validated and benchmarked on a simulation of a hypersonic flat-plate boundary layer with finite-rate chemistry. The gas properties of the reactive air mixture are initially modeled using the open-source Mutation++ library. Substituting Mutation++ with the light-weight, machine-learned alternative improves the performance of the solver by 50% while maintaining overall accuracy.

Point process is the dominant paradigm for modeling event sequences occurring at irregular intervals. In this paper we aim at modeling latent dynamics of event propagation in graph, where the event sequence propagates in a directed weighted graph whose nodes represent event marks (e.g., event types). Most existing works have only considered encoding sequential event history into event representation and ignored the information from the latent graph structure. Besides they also suffer from poor model explainability, i.e., failing to uncover causal influence across a wide variety of nodes. To address these problems, we propose a Graph Regularized Point Process (GRPP) that can be decomposed into: 1) a graph propagation model that characterizes the event interactions across nodes with neighbors and inductively learns node representations; 2) a temporal attentive intensity model, whose excitation and time decay factors of past events on the current event are constructed via the contextualization of the node embedding. Moreover, by applying a graph regularization method, GRPP provides model interpretability by uncovering influence strengths between nodes. Numerical experiments on various datasets show that GRPP outperforms existing models on both the propagation time and node prediction by notable margins.

In deep learning it is common to overparameterize neural networks, that is, to use more parameters than training samples. Quite surprisingly training the neural network via (stochastic) gradient descent leads to models that generalize very well, while classical statistics would suggest overfitting. In order to gain understanding of this implicit bias phenomenon we study the special case of sparse recovery (compressed sensing) which is of interest on its own. More precisely, in order to reconstruct a vector from underdetermined linear measurements, we introduce a corresponding overparameterized square loss functional, where the vector to be reconstructed is deeply factorized into several vectors. We show that, if there exists an exact solution, vanilla gradient flow for the overparameterized loss functional converges to a good approximation of the solution of minimal $\ell_1$-norm. The latter is well-known to promote sparse solutions. As a by-product, our results significantly improve the sample complexity for compressed sensing via gradient flow/descent on overparameterized models derived in previous works. The theory accurately predicts the recovery rate in numerical experiments. Our proof relies on analyzing a certain Bregman divergence of the flow. This bypasses the obstacles caused by non-convexity and should be of independent interest.

Accurate quantification of cerebral blood flow (CBF) is essential for the diagnosis and assessment of a wide range of neurological diseases. Positron emission tomography (PET) with radiolabeled water (15O-water) is considered the gold-standard for the measurement of CBF in humans. PET imaging, however, is not widely available because of its prohibitive costs and use of short-lived radiopharmaceutical tracers that typically require onsite cyclotron production. Magnetic resonance imaging (MRI), in contrast, is more readily accessible and does not involve ionizing radiation. This study presents a convolutional encoder-decoder network with attention mechanisms to predict gold-standard 15O-water PET CBF from multi-sequence MRI scans, thereby eliminating the need for radioactive tracers. Inputs to the prediction model include several commonly used MRI sequences (T1-weighted, T2-FLAIR, and arterial spin labeling). The model was trained and validated using 5-fold cross-validation in a group of 126 subjects consisting of healthy controls and cerebrovascular disease patients, all of whom underwent simultaneous $15O-water PET/MRI. The results show that such a model can successfully synthesize high-quality PET CBF measurements (with an average SSIM of 0.924 and PSNR of 38.8 dB) and is more accurate compared to concurrent and previous PET synthesis methods. We also demonstrate the clinical significance of the proposed algorithm by evaluating the agreement for identifying the vascular territories with abnormally low CBF. Such methods may enable more widespread and accurate CBF evaluation in larger cohorts who cannot undergo PET imaging due to radiation concerns, lack of access, or logistic challenges.

Random Fourier features (RFFs) provide a promising way for kernel learning in a spectral case. Current RFFs-based kernel learning methods usually work in a two-stage way. In the first-stage process, learning the optimal feature map is often formulated as a target alignment problem, which aims to align the learned kernel with the pre-defined target kernel (usually the ideal kernel). In the second-stage process, a linear learner is conducted with respect to the mapped random features. Nevertheless, the pre-defined kernel in target alignment is not necessarily optimal for the generalization of the linear learner. Instead, in this paper, we consider a one-stage process that incorporates the kernel learning and linear learner into a unifying framework. To be specific, a generative network via RFFs is devised to implicitly learn the kernel, followed by a linear classifier parameterized as a full-connected layer. Then the generative network and the classifier are jointly trained by solving the empirical risk minimization (ERM) problem to reach a one-stage solution. This end-to-end scheme naturally allows deeper features, in correspondence to a multi-layer structure, and shows superior generalization performance over the classical two-stage, RFFs-based methods in real-world classification tasks. Moreover, inspired by the randomized resampling mechanism of the proposed method, its enhanced adversarial robustness is investigated and experimentally verified.

Anomaly detection of time series, especially multivariate time series(time series with multiple sensors), has been focused on for several years. Though existing method has achieved great progress, there are several challenging problems to be solved. Firstly, existing method including neural network only concentrate on the relationship in terms of timestamp. To be exact, they only want to know how does the data in the past influence which in the future. However, one sensor sometimes intervenes in other sensor such as the speed of wind may cause decrease of temperature. Secondly, there exist two categories of model for time series anomaly detection: prediction model and reconstruction model. Prediction model is adept at learning timely representation while short of capability when faced with sparse anomaly. Conversely, reconstruction model is opposite. Therefore, how can we efficiently get the relationship both in terms of both timestamp and sensors becomes our main topic. Our approach uses GAT, which is originated from graph neural network, to obtain connection between sensors. And LSTM is used to obtain relationships timely. Our approach is also designed to be double headed to calculate both prediction loss and reconstruction loss via VAE(Variational Auto-Encoder). In order to take advantage of two sorts of model, multi-task optimization algorithm is used in this model.

Fractional diffusion equations have been an effective tool for modeling anomalous diffusion in complicated systems. However, traditional numerical methods require expensive computation cost and storage resources because of the memory effect brought by the convolution integral of time fractional derivative. We propose a Bayesian Inversion with Neural Operator (BINO) to overcome the difficulty in traditional methods as follows. We employ a deep operator network to learn the solution operators for the fractional diffusion equations, allowing us to swiftly and precisely solve a forward problem for given inputs (including fractional order, diffusion coefficient, source terms, etc.). In addition, we integrate the deep operator network with a Bayesian inversion method for modelling a problem by subdiffusion process and solving inverse subdiffusion problems, which reduces the time costs (without suffering from overwhelm storage resources) significantly. A large number of numerical experiments demonstrate that the operator learning method proposed in this work can efficiently solve the forward problems and Bayesian inverse problems of the subdiffusion equation.

Mechanistic interpretability aims to explain what a neural network has learned at a nuts-and-bolts level. What are the fundamental primitives of neural network representations? Previous mechanistic descriptions have used individual neurons or their linear combinations to understand the representations a network has learned. But there are clues that neurons and their linear combinations are not the correct fundamental units of description: directions cannot describe how neural networks use nonlinearities to structure their representations. Moreover, many instances of individual neurons and their combinations are polysemantic (i.e. they have multiple unrelated meanings). Polysemanticity makes interpreting the network in terms of neurons or directions challenging since we can no longer assign a specific feature to a neural unit. In order to find a basic unit of description that does not suffer from these problems, we zoom in beyond just directions to study the way that piecewise linear activation functions (such as ReLU) partition the activation space into numerous discrete polytopes. We call this perspective the polytope lens. The polytope lens makes concrete predictions about the behavior of neural networks, which we evaluate through experiments on both convolutional image classifiers and language models. Specifically, we show that polytopes can be used to identify monosemantic regions of activation space (while directions are not in general monosemantic) and that the density of polytope boundaries reflect semantic boundaries. We also outline a vision for what mechanistic interpretability might look like through the polytope lens.

We consider two biologically plausible structures, the Spiking Neural Network (SNN) and the self-attention mechanism. The former offers an energy-efficient and event-driven paradigm for deep learning, while the latter has the ability to capture feature dependencies, enabling Transformer to achieve good performance. It is intuitively promising to explore the marriage between them. In this paper, we consider leveraging both self-attention capability and biological properties of SNNs, and propose a novel Spiking Self Attention (SSA) as well as a powerful framework, named Spiking Transformer (Spikformer). The SSA mechanism in Spikformer models the sparse visual feature by using spike-form Query, Key, and Value without softmax. Since its computation is sparse and avoids multiplication, SSA is efficient and has low computational energy consumption. It is shown that Spikformer with SSA can outperform the state-of-the-art SNNs-like frameworks in image classification on both neuromorphic and static datasets. Spikformer (66.3M parameters) with comparable size to SEW-ResNet-152 (60.2M,69.26%) can achieve 74.81% top1 accuracy on ImageNet using 4 time steps, which is the state-of-the-art in directly trained SNNs models.

Recent techniques for analyzing sports precisely has stimulated various approaches to improve player performance and fan engagement. However, existing approaches are only able to evaluate offline performance since testing in real-time matches requires exhaustive costs and cannot be replicated. To test in a safe and reproducible simulator, we focus on turn-based sports and introduce a badminton environment by simulating rallies with different angles of view and designing the states, actions, and training procedures. This benefits not only coaches and players by simulating past matches for tactic investigation, but also researchers from rapidly evaluating their novel algorithms.

We study the inverse problem of reconstructing spectral functions from Euclidean correlation functions via machine learning. We propose a novel neural network, SVAE, which is based on the variational autoencoder (VAE) and can be naturally applied to the inverse problem. The prominent feature of the SVAE is that a Shannon-Jaynes entropy term having the ground truth values of spectral functions as prior information is included in the loss function to be minimized. We train the network with general spectral functions produced from a Gaussian mixture model. As a test, we use correlators generated from four different types of physically motivated spectral functions made of one resonance peak, a continuum term and perturbative spectral function obtained using non-relativistic QCD. From the mock data test we find that the SVAE in most cases is comparable to the maximum entropy method (MEM) in the quality of reconstructing spectral functions and even outperforms the MEM in the case where the spectral function has sharp peaks with insufficient number of data points in the correlator. By applying to temporal correlation functions of charmonium in the pseudoscalar channel obtained in the quenched lattice QCD at 0.75 $T_c$ on $128^3\times96$ lattices and $1.5$ $T_c$ on $128^3\times48$ lattices, we find that the resonance peak of $\eta_c$ extracted from both the SVAE and MEM has a substantial dependence on the number of points in the temporal direction ($N_\tau$) adopted in the lattice simulation and $N_\tau$ larger than 48 is needed to resolve the fate of $\eta_c$ at 1.5 $T_c$.

Score-based generative models (SGMs) are a powerful class of generative models that exhibit remarkable empirical performance. Score-based generative modelling (SGM) consists of a ``noising'' stage, whereby a diffusion is used to gradually add Gaussian noise to data, and a generative model, which entails a ``denoising'' process defined by approximating the time-reversal of the diffusion. Existing SGMs assume that data is supported on a Euclidean space, i.e. a manifold with flat geometry. In many domains such as robotics, geoscience or protein modelling, data is often naturally described by distributions living on Riemannian manifolds and current SGM techniques are not appropriate. We introduce here Riemannian Score-based Generative Models (RSGMs), a class of generative models extending SGMs to Riemannian manifolds. We demonstrate our approach on a variety of manifolds, and in particular with earth and climate science spherical data.

Predicting the accuracy of candidate neural architectures is an important capability of NAS-based solutions. When a candidate architecture has properties that are similar to other known architectures, the prediction task is rather straightforward using off-the-shelf regression algorithms. However, when a candidate architecture lies outside of the known space of architectures, a regression model has to perform extrapolated predictions, which is not only a challenging task, but also technically impossible using the most popular regression algorithm families, which are based on decision trees. In this work, we are trying to address two problems. The first one is improving regression accuracy using feature selection, whereas the other one is the evaluation of regression algorithms on extrapolating accuracy prediction tasks. We extend the NAAP-440 dataset with new tabular features and introduce NAAP-440e, which we use for evaluation. We observe a dramatic improvement from the old baseline, namely, the new baseline requires 3x shorter training processes of candidate architectures, while maintaining the same mean-absolute-error and achieving almost 2x fewer monotonicity violations, compared to the old baseline's best reported performance. The extended dataset and code used in the study have been made public in the NAAP-440 repository.

We propose a federated averaging Langevin algorithm (FA-LD) for uncertainty quantification and mean predictions with distributed clients. In particular, we generalize beyond normal posterior distributions and consider a general class of models. We develop theoretical guarantees for FA-LD for strongly log-concave distributions with non-i.i.d data and study how the injected noise and the stochastic-gradient noise, the heterogeneity of data, and the varying learning rates affect the convergence. Such an analysis sheds light on the optimal choice of local updates to minimize communication costs. Important to our approach is that the communication efficiency does not deteriorate with the injected noise in the Langevin algorithms. In addition, we examine in our FA-LD algorithm both independent and correlated noise used over different clients. We observe there is a trade-off between the pairs among communication, accuracy, and data privacy. As local devices may become inactive in federated networks, we also show convergence results based on different averaging schemes where only partial device updates are available. In such a case, we discover an additional bias that does not decay to zero.

The simplest way to obtain continuous interpolation between two points in high dimensional space is to draw a line between them. While previous works focused on the general connectivity between model parameters, we explored linear interpolation for parameters of pre-trained models after fine-tuning. Surprisingly, we could perform linear interpolation without a performance drop in intermediate points for fine-tuned models. For controllable text generation, such interpolation could be seen as moving a model towards or against the desired text attribute (e.g., positive sentiment), which could be used as grounds for further methods for controllable text generation without inference speed overhead.

Simulating physical network paths (e.g., Internet) is a cornerstone research problem in the emerging sub-field of AI-for-networking. We seek a model that generates end-to-end packet delay values in response to the time-varying load offered by a sender, which is typically a function of the previously output delays. The problem setting is unique, and renders the state-of-the-art text and time-series generative models inapplicable or ineffective. We formulate an ML problem at the intersection of dynamical systems, sequential decision making, and time-series modeling. We propose a novel grey-box approach to network simulation that embeds the semantics of physical network path in a new RNN-style model called RBU, providing the interpretability of standard network simulator tools, the power of neural models, the efficiency of SGD-based techniques for learning, and yielding promising results on synthetic and real-world network traces.

Explaining black-box Artificial Intelligence (AI) models is a cornerstone for trustworthy AI and a prerequisite for its use in safety critical applications such that AI models can reliably assist humans in critical decisions. However, instead of trying to explain our models post-hoc, we need models which are interpretable-by-design built on a reasoning process similar to humans that exploits meaningful high-level concepts such as shapes, texture or object parts. Learning such concepts is often hindered by its need for explicit specification and annotation up front. Instead, prototype-based learning approaches such as ProtoPNet claim to discover visually meaningful prototypes in an unsupervised way. In this work, we propose a set of properties that those prototypes have to fulfill to enable human analysis, e.g. as part of a reliable model assessment case, and analyse such existing methods in the light of these properties. Given a 'Guess who?' game, we find that these prototypes still have a long way ahead towards definite explanations. We quantitatively validate our findings by conducting a user study indicating that many of the learnt prototypes are not considered useful towards human understanding. We discuss about the missing links in the existing methods and present a potential real-world application motivating the need to progress towards truly human-interpretable prototypes.

We tackle the problem of cooperative visual exploration where multiple agents need to jointly explore unseen regions as fast as possible based on visual signals. Classical planning-based methods often suffer from expensive computation overhead at each step and a limited expressiveness of complex cooperation strategy. By contrast, reinforcement learning (RL) has recently become a popular paradigm for tackling this challenge due to its modeling capability of arbitrarily complex strategies and minimal inference overhead. In this paper, we extend the state-of-the-art single-agent visual navigation method, Active Neural SLAM (ANS), to the multi-agent setting by introducing a novel RL-based planning module, Multi-agent Spatial Planner (MSP).MSP leverages a transformer-based architecture, Spatial-TeamFormer, which effectively captures spatial relations and intra-agent interactions via hierarchical spatial self-attentions. In addition, we also implement a few multi-agent enhancements to process local information from each agent for an aligned spatial representation and more precise planning. Finally, we perform policy distillation to extract a meta policy to significantly improve the generalization capability of final policy. We call this overall solution, Multi-Agent Active Neural SLAM (MAANS). MAANS substantially outperforms classical planning-based baselines for the first time in a photo-realistic 3D simulator, Habitat. Code and videos can be found at https://sites.google.com/view/maans.

The $k$-means algorithm is a very prevalent clustering method because of its simplicity, effectiveness, and speed, but its main disadvantage is its high sensitivity to the initial positions of the cluster centers. The global $k$-means is a deterministic algorithm proposed to tackle the random initialization problem of k-means but requires high computational cost. It partitions the data to $K$ clusters by solving all $k$-means sub-problems incrementally for $k=1,\ldots, K$. For each $k$ cluster problem, the method executes the $k$-means algorithm $N$ times, where $N$ is the number of data points. In this paper, we propose the global $k$-means$++$ clustering algorithm, which is an effective way of acquiring quality clustering solutions akin to those of global $k$-means with a reduced computational load. This is achieved by exploiting the center section probability that is used in the effective $k$-means$++$ algorithm. The proposed method has been tested and compared in various well-known real and synthetic datasets yielding very satisfactory results in terms of clustering quality and execution speed.

While the evaluation of explanations is an important step towards trustworthy models, it needs to be done carefully, and the employed metrics need to be well-understood. Specifically model randomization testing is often overestimated and regarded as a sole criterion for selecting or discarding certain explanation methods. To address shortcomings of this test, we start by observing an experimental gap in the ranking of explanation methods between randomization-based sanity checks [1] and model output faithfulness measures (e.g. [25]). We identify limitations of model-randomization-based sanity checks for the purpose of evaluating explanations. Firstly, we show that uninformative attribution maps created with zero pixel-wise covariance easily achieve high scores in this type of checks. Secondly, we show that top-down model randomization preserves scales of forward pass activations with high probability. That is, channels with large activations have a high probility to contribute strongly to the output, even after randomization of the network on top of them. Hence, explanations after randomization can only be expected to differ to a certain extent. This explains the observed experimental gap. In summary, these results demonstrate the inadequacy of model-randomization-based sanity checks as a criterion to rank attribution methods.

Generalized Zero-Shot Learning (GZSL) aims to train a classifier that can generalize to unseen classes, using a set of attributes as auxiliary information, and the visual features extracted from a pre-trained convolutional neural network. While recent GZSL methods have explored various techniques to leverage the capacity of these features, there has been an extensive growth of representation learning techniques that remain under-explored. In this work, we investigate the utility of different GZSL methods when using different feature extractors, and examine how these models' pre-training objectives, datasets, and architecture design affect their feature representation ability. Our results indicate that 1) methods using generative components for GZSL provide more advantages when using recent feature extractors; 2) feature extractors pre-trained using self-supervised learning objectives and knowledge distillation provide better feature representations, increasing up to 15% performance when used with recent GZSL techniques; 3) specific feature extractors pre-trained with larger datasets do not necessarily boost the performance of GZSL methods. In addition, we investigate how GZSL methods fare against CLIP, a more recent multi-modal pre-trained model with strong zero-shot performance. We found that GZSL tasks still benefit from generative-based GZSL methods along with CLIP's internet-scale pre-training to achieve state-of-the-art performance in fine-grained datasets. We release a modular framework for analyzing representation learning issues in GZSL here: https://github.com/uvavision/TV-GZSL

Although quantum supremacy is yet to come, there has recently been an increasing interest in identifying the potential of quantum machine learning (QML) in the looming era of practical quantum computing. Motivated by this, in this article we re-design multi-agent reinforcement learning (MARL) based on the unique characteristics of quantum neural networks (QNNs) having two separate dimensions of trainable parameters: angle parameters affecting the output qubit states, and pole parameters associated with the output measurement basis. Exploiting this dyadic trainability as meta-learning capability, we propose quantum meta MARL (QM2ARL) that first applies angle training for meta-QNN learning, followed by pole training for few-shot or local-QNN training. To avoid overfitting, we develop an angle-to-pole regularization technique injecting noise into the pole domain during angle training. Furthermore, by exploiting the pole as the memory address of each trained QNN, we introduce the concept of pole memory allowing one to save and load trained QNNs using only two-parameter pole values. We theoretically prove the convergence of angle training under the angle-to-pole regularization, and by simulation corroborate the effectiveness of QM2ARL in achieving high reward and fast convergence, as well as of the pole memory in fast adaptation to a time-varying environment.

Opponent modeling has benefited a controlled agent's decision-making by constructing models of other agents. Existing methods commonly assume access to opponents' observations and actions, which is infeasible when opponents' behaviors are unobservable or hard to obtain. We propose a novel multi-agent distributional actor-critic algorithm to achieve imaginary opponent modeling with purely local information (i.e., the controlled agent's observations, actions, and rewards). Specifically, the actor maintains a speculated belief of the opponents, which we call the \textit{imaginary opponent models}, to predict opponents' actions using local observations and makes decisions accordingly. Further, the distributional critic models the return distribution of the policy. It reflects the quality of the actor and thus can guide the training of the imaginary opponent model that the actor relies on. Extensive experiments confirm that our method successfully models opponents' behaviors without their data and delivers superior performance against baseline methods with a faster convergence speed.

Regret minimization methods are a powerful tool for learning approximate Nash equilibrium (NE) in two-player zero-sum imperfect information extensive-form games (IIEGs). We consider the problem in the interactive bandit-feedback setting where we don't know the dynamics of the IIEG. In general, only the interactive trajectory and the reached terminal node value $v(z^t)$ are revealed. To learn NE, the regret minimizer is required to estimate the full-feedback loss gradient $\ell^t$ by $v(z^t)$ and minimize the regret. In this paper, we propose a generalized framework for this learning setting. It presents a theoretical framework for the design and the modular analysis of the bandit regret minimization methods. We demonstrate that the most recent bandit regret minimization methods can be analyzed as a particular case of our framework. Following this framework, we describe a novel method SIX-OMD to learn approximate NE. It is model-free and extremely improves the best existing convergence rate from the order of $O(\sqrt{X B/T}+\sqrt{Y C/T})$ to $O(\sqrt{ M_{\mathcal{X}}/T} +\sqrt{ M_{\mathcal{Y}}/T})$. Moreover, SIX-OMD is computationally efficient as it needs to perform the current strategy and average strategy updates only along the sampled trajectory.

Multiphysics problems such as multicomponent diffusion, phase transformations in multiphase systems and alloy solidification involve numerical solution of a coupled system of nonlinear partial differential equations (PDEs). Numerical solutions of these PDEs using mesh-based methods require spatiotemporal discretization of these equations. Hence, the numerical solutions are often sensitive to discretization parameters and may have inaccuracies (resulting from grid-based approximations). Moreover, choice of finer mesh for higher accuracy make these methods computationally expensive. Neural network-based PDE solvers are emerging as robust alternatives to conventional numerical methods because these use machine learnable structures that are grid-independent, fast and accurate. However, neural network based solvers require large amount of training data, thus affecting their generalizabilty and scalability. These concerns become more acute for coupled systems of time-dependent PDEs. To address these issues, we develop a new neural network based framework that uses encoder-decoder based conditional Generative Adversarial Networks with ConvLSTM layers to solve a system of Cahn-Hilliard equations. These equations govern microstructural evolution of a ternary alloy undergoing spinodal decomposition when quenched inside a three-phase miscibility gap. We show that the trained models are mesh and scale-independent, thereby warranting application as effective neural operators.

There is increasing interest in the use of multimodal data in various web applications, such as digital advertising and e-commerce. Typical methods for extracting important information from multimodal data rely on a mid-fusion architecture that combines the feature representations from multiple encoders. However, as the number of modalities increases, several potential problems with the mid-fusion model structure arise, such as an increase in the dimensionality of the concatenated multimodal features and missing modalities. To address these problems, we propose a new concept that considers multimodal inputs as a set of sequences, namely, deep multimodal sequence sets (DM$^2$S$^2$). Our set-aware concept consists of three components that capture the relationships among multiple modalities: (a) a BERT-based encoder to handle the inter- and intra-order of elements in the sequences, (b) intra-modality residual attention (IntraMRA) to capture the importance of the elements in a modality, and (c) inter-modality residual attention (InterMRA) to enhance the importance of elements with modality-level granularity further. Our concept exhibits performance that is comparable to or better than the previous set-aware models. Furthermore, we demonstrate that the visualization of the learned InterMRA and IntraMRA weights can provide an interpretation of the prediction results.

Due to the representation limitation of the joint Q value function, multi-agent reinforcement learning methods with linear value decomposition (LVD) or monotonic value decomposition (MVD) suffer from relative overgeneralization. As a result, they can not ensure optimal consistency (i.e., the correspondence between individual greedy actions and the maximal true Q value). In this paper, we derive the expression of the joint Q value function of LVD and MVD. According to the expression, we draw a transition diagram, where each self-transition node (STN) is a possible convergence. To ensure optimal consistency, the optimal node is required to be the unique STN. Therefore, we propose the greedy-based value representation (GVR), which turns the optimal node into an STN via inferior target shaping and further eliminates the non-optimal STNs via superior experience replay. In addition, GVR achieves an adaptive trade-off between optimality and stability. Our method outperforms state-of-the-art baselines in experiments on various benchmarks. Theoretical proofs and empirical results on matrix games demonstrate that GVR ensures optimal consistency under sufficient exploration.

Due to computational constraints, running global climate models (GCMs) for many years requires a lower spatial grid resolution (${\gtrsim}50$ km) than is optimal for accurately resolving important physical processes. Such processes are approximated in GCMs via subgrid parameterizations, which contribute significantly to the uncertainty in GCM predictions. One approach to improving the accuracy of a coarse-grid global climate model is to add machine-learned state-dependent corrections at each simulation timestep, such that the climate model evolves more like a high-resolution global storm-resolving model (GSRM). We train neural networks to learn the state-dependent temperature, humidity, and radiative flux corrections needed to nudge a 200 km coarse-grid climate model to the evolution of a 3~km fine-grid GSRM. When these corrective ML models are coupled to a year-long coarse-grid climate simulation, the time-mean spatial pattern errors are reduced by 6-25% for land surface temperature and 9-25% for land surface precipitation with respect to a no-ML baseline simulation. The ML-corrected simulations develop other biases in climate and circulation that differ from, but have comparable amplitude to, the baseline simulation.

As data become increasingly vital for deep learning, a company would be very cautious about releasing data, because the competitors could use the released data to train high-performance models, thereby posing a tremendous threat to the company's commercial competence. To prevent training good models on the data, imperceptible perturbations could be added to it. Since such perturbations aim at hurting the entire training process, they should reflect the vulnerability of DNN training, rather than that of a single model. Based on this new idea, we seek adversarial examples that are always unrecognized (never correctly classified) in training. In this paper, we uncover them by modeling checkpoints' gradients, forming the proposed self-ensemble protection (SEP), which is very effective because (1) learning on examples ignored during normal training tends to yield DNNs ignoring normal examples; (2) checkpoints' cross-model gradients are close to orthogonal, meaning that they are as diverse as DNNs with different architectures in conventional ensemble. That is, our amazing performance of ensemble only requires the computation of training one model. By extensive experiments with 9 baselines on 3 datasets and 5 architectures, SEP is verified to be a new state-of-the-art, e.g., our small $\ell_\infty=2/255$ perturbations reduce the accuracy of a CIFAR-10 ResNet18 from 94.56\% to 14.68\%, compared to 41.35\% by the best-known method.Code is available at https://github.com/Sizhe-Chen/SEP.

imitation provides open-source implementations of imitation and reward learning algorithms in PyTorch. We include three inverse reinforcement learning (IRL) algorithms, three imitation learning algorithms and a preference comparison algorithm. The implementations have been benchmarked against previous results, and automated tests cover 98% of the code. Moreover, the algorithms are implemented in a modular fashion, making it simple to develop novel algorithms in the framework. Our source code, including documentation and examples, is available at https://github.com/HumanCompatibleAI/imitation

Transformers flexibly operate over sets of real-valued vectors representing task-specific entities and their attributes, where each vector might encode one word-piece token and its position in a sequence, or some piece of information that carries no position at all. But as set processors, transformers are at a disadvantage in reasoning over more general graph-structured data where nodes represent entities and edges represent relations between entities. To address this shortcoming, we generalize transformer attention to consider and update edge vectors in each transformer layer. We evaluate this relational transformer on a diverse array of graph-structured tasks, including the large and challenging CLRS Algorithmic Reasoning Benchmark. There, it dramatically outperforms state-of-the-art graph neural networks expressly designed to reason over graph-structured data. Our analysis demonstrates that these gains are attributable to relational attention's inherent ability to leverage the greater expressivity of graphs over sets.

Learning on evolving(dynamic) graphs has caught the attention of researchers as static methods exhibit limited performance in this setting. The existing methods for dynamic graphs learn spatial features by local neighborhood aggregation, which essentially only captures the low pass signals and local interactions. In this work, we go beyond current approaches to incorporate global features for effectively learning representations of a dynamically evolving graph. We propose to do so by capturing the spectrum of the dynamic graph. Since static methods to learn the graph spectrum would not consider the history of the evolution of the spectrum as the graph evolves with time, we propose a novel approach to learn the graph wavelets to capture this evolving spectra. Further, we propose a framework that integrates the dynamically captured spectra in the form of these learnable wavelets into spatial features for incorporating local and global interactions. Experiments on eight standard datasets show that our method significantly outperforms related methods on various tasks for dynamic graphs.

The adversarial robustness of recommendation systems under node injection attacks has received considerable research attention. Recently, a robust recommendation system GraphRfi was proposed, and it was shown that GraphRfi could successfully mitigate the effects of injected fake users in the system. Unfortunately, we demonstrate that GraphRfi is still vulnerable to attacks due to the supervised nature of its fraudster detection component. Specifically, we propose a new attack metaC against GraphRfi, and further analyze why GraphRfi fails under such an attack. Based on the insights we obtained from the vulnerability analysis, we build a new robust recommendation system PDR by re-designing the fraudster detection component. Comprehensive experiments show that our defense approach outperforms other benchmark methods under attacks. Overall, our research demonstrates an effective framework of integrating fraudster detection into recommendation to achieve adversarial robustness.

Much like the classical Fisher linear discriminant analysis, Wasserstein discriminant analysis (WDA) is a supervised linear dimensionality reduction method that seeks a projection matrix to maximize the dispersion of different data classes and minimize the dispersion of same data classes. However, in contrast, WDA can account for both global and local inter-connections between data classes using a regularized Wasserstein distance. WDA is formulated as a bi-level nonlinear trace ratio optimization. In this paper, we present a bi-level nonlinear eigenvector (NEPv) algorithm, called WDA-nepv. The inner kernel of WDA-nepv for computing the optimal transport matrix of the regularized Wasserstein distance is formulated as an NEPv, and meanwhile the outer kernel for the trace ratio optimization is also formulated as another NEPv. Consequently, both kernels can be computed efficiently via self-consistent-field iterations and modern solvers for linear eigenvalue problems. Comparing with the existing algorithms for WDA, WDA-nepv is derivative-free and surrogate-model-free. The computational efficiency and applications in classification accuracy of WDA-nepv are demonstrated using synthetic and real-life datasets.

This survey includes systematic generalization and a history of how machine learning addresses it. We aim to summarize and organize the related information of both conventional and recent improvements. We first look at the definition of systematic generalization, then introduce Classicist and Connectionist. We then discuss different types of Connectionists and how they approach the generalization. Two crucial problems of variable binding and causality are discussed. We look into systematic generalization in language, vision, and VQA fields. Recent improvements from different aspects are discussed. Systematic generalization has a long history in artificial intelligence. We could cover only a small portion of many contributions. We hope this paper provides a background and is beneficial for discoveries in future work.

Learning directed acyclic graph (DAG) that describes the causality of observed data is a very challenging but important task. Due to the limited quantity and quality of observed data, and non-identifiability of causal graph, it is almost impossible to infer a single precise DAG. Some methods approximate the posterior distribution of DAGs to explore the DAG space via Markov chain Monte Carlo (MCMC), but the DAG space is over the nature of super-exponential growth, accurately characterizing the whole distribution over DAGs is very intractable. In this paper, we propose {Reinforcement Causal Structure Learning on Order Graph} (RCL-OG) that uses order graph instead of MCMC to model different DAG topological orderings and to reduce the problem size. RCL-OG first defines reinforcement learning with a new reward mechanism to approximate the posterior distribution of orderings in an efficacy way, and uses deep Q-learning to update and transfer rewards between nodes. Next, it obtains the probability transition model of nodes on order graph, and computes the posterior probability of different orderings. In this way, we can sample on this model to obtain the ordering with high probability. Experiments on synthetic and benchmark datasets show that RCL-OG provides accurate posterior probability approximation and achieves better results than competitive causal discovery algorithms.

Deep learning has been successful in BCI decoding. However, it is very data-hungry and requires pooling data from multiple sources. EEG data from various sources decrease the decoding performance due to negative transfer. Recently, transfer learning for EEG decoding has been suggested as a remedy and become subject to recent BCI competitions (e.g. BEETL), but there are two complications in combining data from many subjects. First, privacy is not protected as highly personal brain data needs to be shared (and copied across increasingly tight information governance boundaries). Moreover, BCI data are collected from different sources and are often based on different BCI tasks, which has been thought to limit their reusability. Here, we demonstrate a federated deep transfer learning technique, the Multi-dataset Federated Separate-Common-Separate Network (MF-SCSN) based on our previous work of SCSN, which integrates privacy-preserving properties into deep transfer learning to utilise data sets with different tasks. This framework trains a BCI decoder using different source data sets obtained from different imagery tasks (e.g. some data sets with hands and feet, vs others with single hands and tongue, etc). Therefore, by introducing privacy-preserving transfer learning techniques, we unlock the reusability and scalability of existing BCI data sets. We evaluated our federated transfer learning method on the NeurIPS 2021 BEETL competition BCI task. The proposed architecture outperformed the baseline decoder by 3%. Moreover, compared with the baseline and other transfer learning algorithms, our method protects the privacy of the brain data from different data centres.

Despite the widespread success of Transformers on NLP tasks, recent works have found that they struggle to model several formal languages when compared to recurrent models. This raises the question of why Transformers perform well in practice and whether they have any properties that enable them to generalize better than recurrent models. In this work, we conduct an extensive empirical study on Boolean functions to demonstrate the following: (i) Random Transformers are relatively more biased towards functions of low sensitivity. (ii) When trained on Boolean functions, both Transformers and LSTMs prioritize learning functions of low sensitivity, with Transformers ultimately converging to functions of lower sensitivity. (iii) On sparse Boolean functions which have low sensitivity, we find that Transformers generalize near perfectly even in the presence of noisy labels whereas LSTMs overfit and achieve poor generalization accuracy. Overall, our results provide strong quantifiable evidence that suggests differences in the inductive biases of Transformers and recurrent models which may help explain Transformer's effective generalization performance despite relatively limited expressiveness.

Among attempts at giving a theoretical account of the success of deep neural networks, a recent line of work has identified a so-called lazy training regime in which the network can be well approximated by its linearization around initialization. Here we investigate the comparative effect of the lazy (linear) and feature learning (non-linear) regimes on subgroups of examples based on their difficulty. Specifically, we show that easier examples are given more weight in feature learning mode, resulting in faster training compared to more difficult ones. In other words, the non-linear dynamics tends to sequentialize the learning of examples of increasing difficulty. We illustrate this phenomenon across different ways to quantify example difficulty, including c-score, label noise, and in the presence of easy-to-learn spurious correlations. Our results reveal a new understanding of how deep networks prioritize resources across example difficulty.

Reinforcement Learning (RL) agents are often unable to generalise well to environment variations in the state space that were not observed during training. This issue is especially problematic for image-based RL, where a change in just one variable, such as the background colour, can change many pixels in the image, which can lead to drastic changes in the agent's latent representation of the image, causing the learned policy to fail. To learn more robust representations, we introduce TEmporal Disentanglement (TED), a self-supervised auxiliary task that leads to disentangled image representations exploiting the sequential nature of RL observations. We find empirically that RL algorithms utilising TED as an auxiliary task adapt more quickly to changes in environment variables with continued training compared to state-of-the-art representation learning methods. Since TED enforces a disentangled structure of the representation, we also find that policies trained with TED generalise better to unseen values of variables irrelevant to the task (e.g. background colour) as well as unseen values of variables that affect the optimal policy (e.g. goal positions).

The remarkable performance of deep learning models and their applications in consequential domains (e.g., facial recognition) introduces important challenges at the intersection of equity and security. Fairness and robustness are two desired notions often required in learning models. Fairness ensures that models do not disproportionately harm (or benefit) some groups over others, while robustness measures the models' resilience against small input perturbations. This paper shows the existence of a dichotomy between fairness and robustness, and analyzes when achieving fairness decreases the model robustness to adversarial samples. The reported analysis sheds light on the factors causing such contrasting behavior, suggesting that distance to the decision boundary across groups as a key explainer for this behavior. Extensive experiments on non-linear models and different architectures validate the theoretical findings in multiple vision domains. Finally, the paper proposes a simple, yet effective, solution to construct models achieving good tradeoffs between fairness and robustness.

As a promising distributed machine learning paradigm that enables collaborative training without compromising data privacy, Federated Learning (FL) has been increasingly used in AIoT (Artificial Intelligence of Things) design. However, due to the lack of efficient management of straggling devices, existing FL methods greatly suffer from the problems of low inference accuracy and long training time. Things become even worse when taking various uncertain factors (e.g., network delays, performance variances caused by process variation) existing in AIoT scenarios into account. To address this issue, this paper proposes a novel asynchronous FL framework named GitFL, whose implementation is inspired by the famous version control system Git. Unlike traditional FL, the cloud server of GitFL maintains a master model (i.e., the global model) together with a set of branch models indicating the trained local models committed by selected devices, where the master model is updated based on both all the pushed branch models and their version information, and only the branch models after the pull operation are dispatched to devices. By using our proposed Reinforcement Learning (RL)-based device selection mechanism, a pulled branch model with an older version will be more likely to be dispatched to a faster and less frequently selected device for the next round of local training. In this way, GitFL enables both effective control of model staleness and adaptive load balance of versioned models among straggling devices, thus avoiding the performance deterioration. Comprehensive experimental results on well-known models and datasets show that, compared with state-of-the-art asynchronous FL methods, GitFL can achieve up to 2.64X training acceleration and 7.88% inference accuracy improvements in various uncertain scenarios.

Sentence representation from vanilla BERT models does not work well on sentence similarity tasks. Sentence-BERT models specifically trained on STS or NLI datasets are shown to provide state-of-the-art performance. However, building these models for low-resource languages is not straightforward due to the lack of these specialized datasets. This work focuses on two low-resource Indian languages, Hindi and Marathi. We train sentence-BERT models for these languages using synthetic NLI and STS datasets prepared using machine translation. We show that the strategy of NLI pre-training followed by STSb fine-tuning is effective in generating high-performance sentence-similarity models for Hindi and Marathi. The vanilla BERT models trained using this simple strategy outperform the multilingual LaBSE trained using a complex training strategy. These models are evaluated on downstream text classification and similarity tasks. We evaluate these models on real text classification datasets to show embeddings obtained from synthetic data training are generalizable to real datasets as well and thus represent an effective training strategy for low-resource languages. We also provide a comparative analysis of sentence embeddings from fast text models, multilingual BERT models (mBERT, IndicBERT, xlm-RoBERTa, MuRIL), multilingual sentence embedding models (LASER, LaBSE), and monolingual BERT models based on L3Cube-MahaBERT and HindBERT. We release L3Cube-MahaSBERT and HindSBERT, the state-of-the-art sentence-BERT models for Marathi and Hindi respectively. Our work also serves as a guide to building low-resource sentence embedding models.

We provide a new multi-task benchmark for evaluating text-to-image models. We perform a human evaluation comparing the most common open-source (Stable Diffusion) and commercial (DALL-E 2) models. Twenty computer science AI graduate students evaluated the two models, on three tasks, at three difficulty levels, across ten prompts each, providing 3,600 ratings. Text-to-image generation has seen rapid progress to the point that many recent models have demonstrated their ability to create realistic high-resolution images for various prompts. However, current text-to-image methods and the broader body of research in vision-language understanding still struggle with intricate text prompts that contain many objects with multiple attributes and relationships. We introduce a new text-to-image benchmark that contains a suite of thirty-two tasks over multiple applications that capture a model's ability to handle different features of a text prompt. For example, asking a model to generate a varying number of the same object to measure its ability to count or providing a text prompt with several objects that each have a different attribute to identify its ability to match objects and attributes correctly. Rather than subjectively evaluating text-to-image results on a set of prompts, our new multi-task benchmark consists of challenge tasks at three difficulty levels (easy, medium, and hard) and human ratings for each generated image.

The reliable prediction of the temporal behavior of complex systems is key in numerous scientific fields. This strong interest is however hindered by modeling issues: often, the governing equations describing the physics of the system are not accessible or, when known, their solution might require a computational time incompatible with the prediction time constraints. Not surprisingly, approximating complex systems in a generic functional format and informing it ex-nihilo from available observations has become common practice in the age of machine learning, as illustrated by the numerous successful examples based on deep neural networks. However, generalizability of the models, margins of guarantee and the impact of data are often overlooked or examined mainly by relying on prior knowledge of the physics. We tackle these issues from a different viewpoint, by adopting a curriculum learning strategy. In curriculum learning, the dataset is structured such that the training process starts from simple samples towards more complex ones in order to favor convergence and generalization. The concept has been developed and successfully applied in robotics and control of systems. Here, we apply this concept for the learning of complex dynamical systems in a systematic way. First, leveraging insights from the ergodic theory, we assess the amount of data sufficient for a-priori guaranteeing a faithful model of the physical system and thoroughly investigate the impact of the training set and its structure on the quality of long-term predictions. Based on that, we consider entropy as a metric of complexity of the dataset; we show how an informed design of the training set based on the analysis of the entropy significantly improves the resulting models in terms of generalizability, and provide insights on the amount and the choice of data required for an effective data-driven modeling.

Existing Graph Neural Networks (GNNs) compute the message exchange between nodes by either aggregating uniformly (convolving) the features of all the neighboring nodes, or by applying a non-uniform score (attending) to the features. Recent works have shown the strengths and weaknesses of the resulting GNN architectures, respectively, GCNs and GATs. In this work, we aim at exploiting the strengths of both approaches to their full extent. To this end, we first introduce the graph convolutional attention layer (CAT), which relies on convolutions to compute the attention scores. Unfortunately, as in the case of GCNs and GATs, we show that there exists no clear winner between the three (neither theoretically nor in practice) as their performance directly depends on the nature of the data (i.e., of the graph and features). This result brings us to the main contribution of our work, the learnable graph convolutional attention network (L-CAT): a GNN architecture that automatically interpolates between GCN, GAT and CAT in each layer, by adding only two scalar parameters. Our results demonstrate that L-CAT is able to efficiently combine different GNN layers along the network, outperforming competing methods in a wide range of datasets, and resulting in a more robust model that reduces the need of cross-validating.

Content-based medical image retrieval is an important diagnostic tool that improves the explainability of computer-aided diagnosis systems and provides decision making support to healthcare professionals. Medical imaging data, such as radiology images, are often multimorbidity; a single sample may have more than one pathology present. As such, image retrieval systems for the medical domain must be designed for the multi-label scenario. In this paper, we propose a novel multi-label metric learning method that can be used for both classification and content-based image retrieval. In this way, our model is able to support diagnosis by predicting the presence of diseases and provide evidence for these predictions by returning samples with similar pathological content to the user. In practice, the retrieved images may also be accompanied by pathology reports, further assisting in the diagnostic process. Our method leverages proxy feature vectors, enabling the efficient learning of a robust feature space in which the distance between feature vectors can be used as a measure of the similarity of those samples. Unlike existing proxy-based methods, training samples are able to assign to multiple proxies that span multiple class labels. This multi-label proxy assignment results in a feature space that encodes the complex relationships between diseases present in medical imaging data. Our method outperforms state-of-the-art image retrieval systems and a set of baseline approaches. We demonstrate the efficacy of our approach to both classification and content-based image retrieval on two multimorbidity radiology datasets.

Recent advances in deep learning have led to interest in training deep learning models on longitudinal healthcare records to predict a range of medical events, with models demonstrating high predictive performance. Predictive performance is necessary but insufficient, however, with explanations and reasoning from models required to convince clinicians for sustained use. Rigorous evaluation of explainability is often missing, as comparisons between models (traditional versus deep) and various explainability methods have not been well-studied. Furthermore, ground truths needed to evaluate explainability can be highly subjective depending on the clinician's perspective. Our work is one of the first to evaluate explainability performance between and within traditional (XGBoost) and deep learning (LSTM with Attention) models on both a global and individual per-prediction level on longitudinal healthcare data. We compared explainability using three popular methods: 1) SHapley Additive exPlanations (SHAP), 2) Layer-Wise Relevance Propagation (LRP), and 3) Attention. These implementations were applied on synthetically generated datasets with designed ground-truths and a real-world medicare claims dataset. We showed that overall, LSTMs with SHAP or LRP provides superior explainability compared to XGBoost on both the global and local level, while LSTM with dot-product attention failed to produce reasonable ones. With the explosion of the volume of healthcare data and deep learning progress, the need to evaluate explainability will be pivotal towards successful adoption of deep learning models in healthcare settings.

We consider the classical shadows task for pure states in the setting of both joint and independent measurements. The task is to measure few copies of an unknown pure state $\rho$ in order to learn a classical description which suffices to later estimate expectation values of observables. Specifically, the goal is to approximate $\mathrm{Tr}(O \rho)$ for any Hermitian observable $O$ to within additive error $\epsilon$ provided $\mathrm{Tr}(O^2)\leq B$ and $\lVert O \rVert = 1$. Our main result applies to the joint measurement setting, where we show $\tilde{\Theta}(\sqrt{B}\epsilon^{-1} + \epsilon^{-2})$ samples of $\rho$ are necessary and sufficient to succeed with high probability. The upper bound is a quadratic improvement on the previous best sample complexity known for this problem. For the lower bound, we see that the bottleneck is not how fast we can learn the state but rather how much any classical description of $\rho$ can be compressed for observable estimation. In the independent measurement setting, we show that $\mathcal O(\sqrt{Bd} \epsilon^{-1} + \epsilon^{-2})$ samples suffice. Notably, this implies that the random Clifford measurements algorithm of Huang, Kueng, and Preskill, which is sample-optimal for mixed states, is not optimal for pure states. Interestingly, our result also uses the same random Clifford measurements but employs a different estimator.  ( 2 min )

We present the task description and discussion on the results of the DCASE 2022 Challenge Task 2: ``Unsupervised anomalous sound detection (ASD) for machine condition monitoring applying domain generalization techniques''. Domain shifts are a critical problem for the application of ASD systems. Because domain shifts can change the acoustic characteristics of data, a model trained in a source domain performs poorly for a target domain. In DCASE 2021 Challenge Task 2, we organized an ASD task for handling domain shifts. In this task, it was assumed that the occurrences of domain shifts are known. However, in practice, the domain of each sample may not be given, and the domain shifts can occur implicitly. In 2022 Task 2, we focus on domain generalization techniques that detects anomalies regardless of the domain shifts. Specifically, the domain of each sample is not given in the test data and only one threshold is allowed for all domains. Analysis of 81 submissions from 31 teams revealed two remarkable types of domain generalization techniques: 1) domain-mixing-based approach that obtains generalized representations and 2) domain-classification-based approach that explicitly or implicitly classifies different domains to improve detection performance for each domain.  ( 2 min )

We present a hybrid classical-quantum approach to the binary classification of polymer structures. Two polymer classes visual (VIS) and near-infrared (NIR) are defined based on the size of the polymer gaps. The hybrid approach combines one of the three methods, Gaussian Kernel Method, Quantum-Enhanced Random Kitchen Sinks or Variational Quantum Classifier, implemented by linear quantum photonic circuits (LQPCs), with a classical deep neural network (DNN) feature extractor. The latter extracts from the classical data information about samples chemical structure. It also reduces the data dimensions yielding compact 2-dimensional data vectors that are then fed to the LQPCs. We adopt the photonic-based data-embedding scheme, proposed by Gan et al. [EPJ Quantum Technol. 9, 16 (2022)] to embed the classical 2-dimensional data vectors into the higher-dimensional Fock space. This hybrid classical-quantum strategy permits to obtain accurate noisy intermediate-scale quantum-compatible classifiers by leveraging Fock states with only a few photons. The models obtained using either of the three hybrid methods successfully classified the VIS and NIR polymers. Their accuracy is comparable as measured by their scores ranging from 0.86 to 0.88. These findings demonstrate that our hybrid approach that uses photonic quantum computing captures chemistry and structure-property correlation patterns in real polymer data. They also open up perspectives of employing quantum computing to complex chemical structures when a larger number of logical qubits is available.  ( 2 min )

Relation prediction is a task designed for knowledge graph completion which aims to predict missing relationships between entities. Recent subgraph-based models for inductive relation prediction have received increasing attention, which can predict relation for unseen entities based on the extracted subgraph surrounding the candidate triplet. However, they are not completely inductive because of their disability of predicting unseen relations. Moreover, they fail to pay sufficient attention to the role of relation as they only depend on the model to learn parameterized relation embedding, which leads to inaccurate prediction on long-tail relations. In this paper, we introduce Relation-dependent Contrastive Learning (ReCoLe) for inductive relation prediction, which adapts contrastive learning with a novel sampling method based on clustering algorithm to enhance the role of relation and improve the generalization ability to unseen relations. Instead of directly learning embedding for relations, ReCoLe allocates a pre-trained GNN-based encoder to each relation to strengthen the influence of relation. The GNN-based encoder is optimized by contrastive learning, which ensures satisfactory performance on long-tail relations. In addition, the cluster sampling method equips ReCoLe with the ability to handle both unseen relations and entities. Experimental results suggest that ReCoLe outperforms state-of-the-art methods on commonly used inductive datasets.  ( 2 min )

Despite the rapid progress on research in adversarial robustness of deep neural networks (DNNs), there is little principled work for the time-series domain. Since time-series data arises in diverse applications including mobile health, finance, and smart grid, it is important to verify and improve the robustness of DNNs for the time-series domain. In this paper, we propose a novel framework for the time-series domain referred as {\em Dynamic Time Warping for Adversarial Robustness (DTW-AR)} using the dynamic time warping measure. Theoretical and empirical evidence is provided to demonstrate the effectiveness of DTW over the standard Euclidean distance metric employed in prior methods for the image domain. We develop a principled algorithm justified by theoretical analysis to efficiently create diverse adversarial examples using random alignment paths. Experiments on diverse real-world benchmarks show the effectiveness of DTW-AR to fool DNNs for time-series data and to improve their robustness using adversarial training. The source code of DTW-AR algorithms is available at https://github.com/tahabelkhouja/DTW-AR  ( 2 min )

Decentralized learning over distributed datasets can have significantly different data distributions across the agents. The current state-of-the-art decentralized algorithms mostly assume the data distributions to be Independent and Identically Distributed. This paper focuses on improving decentralized learning over non-IID data. We propose \textit{Neighborhood Gradient Clustering (NGC)}, a novel decentralized learning algorithm that modifies the local gradients of each agent using self- and cross-gradient information. Cross-gradients for a pair of neighboring agents are the derivatives of the model parameters of an agent with respect to the dataset of the other agent. In particular, the proposed method replaces the local gradients of the model with the weighted mean of the self-gradients, model-variant cross-gradients (derivatives of the neighbors' parameters with respect to the local dataset), and data-variant cross-gradients (derivatives of the local model with respect to its neighbors' datasets). The data-variant cross-gradients are aggregated through an additional communication round without breaking the privacy constraints. Further, we present \textit{CompNGC}, a compressed version of \textit{NGC} that reduces the communication overhead by $32 \times$. We demonstrate the efficiency of the proposed technique over non-IID data sampled from {various vision and language} datasets trained on diverse models, graph sizes, and topologies. Our experiments demonstrate that \textit{NGC} and \textit{CompNGC} outperform (by $0-6\%$) the existing SoTA decentralized learning algorithm over non-IID data with significantly less compute and memory requirements. Further, our experiments show that the model-variant cross-gradient information available locally at each agent can improve the performance over non-IID data by $1-35\%$ without additional communication cost.  ( 3 min )

Physics-informed Neural Networks (PINNs) often have, in their loss functions, terms based on physical equations and derivatives. In order to evaluate these terms, the output solution is sampled using a distribution of collocation points. However, density-based strategies, in which the number of collocation points over the domain increases throughout the training period, do not scale well to multiple spatial dimensions. To remedy this issue, we present here a curriculum-training-based method for lightweight collocation point distributions during network training. We apply this method to a PINN which recovers a full two-dimensional magnetohydrodynamic (MHD) solution from a partial sample taken from a baseline MHD simulation. We find that the curriculum collocation point strategy leads to a significant decrease in training time and simultaneously enhances the quality of the reconstructed solution.  ( 2 min )

In this paper, the CONFIG algorithm, a simple and provably efficient constrained global optimization algorithm, is applied to optimize the closed-loop control performance of an unknown system with unmodeled constraints. Existing Gaussian process based closed-loop optimization methods, either can only guarantee local convergence (e.g., SafeOPT), or have no known optimality guarantee (e.g., constrained expected improvement) at all, whereas the recently introduced CONFIG algorithm has been proven to enjoy a theoretical global optimality guarantee. In this study, we demonstrate the effectiveness of CONFIG algorithm in the applications. The algorithm is first applied to an artificial numerical benchmark problem to corroborate its effectiveness. It is then applied to a classical constrained steady-state optimization problem of a continuous stirred-tank reactor. Simulation results show that our CONFIG algorithm can achieve performance competitive with the popular CEI (Constrained Expected Improvement) algorithm, which has no known optimality guarantee. As such, the CONFIG algorithm offers a new tool, with both a provable global optimality guarantee and competitive empirical performance, to optimize the closed-loop control performance for a system with soft unmodeled constraints. Last, but not least, the open-source code is available as a python package to facilitate future applications.  ( 2 min )

Existing Graph Neural Networks (GNNs) follow the message-passing mechanism that conducts information interaction among nodes iteratively. While considerable progress has been made, such node interaction paradigms still have the following limitation. First, the scalability limitation precludes the wide application of GNNs in large-scale industrial settings since the node interaction among rapidly expanding neighbors incurs high computation and memory costs. Second, the over-smoothing problem restricts the discrimination ability of nodes, i.e., node representations of different classes will converge to indistinguishable after repeated node interactions. In this work, we propose a novel hop interaction paradigm to address these limitations simultaneously. The core idea of hop interaction is to convert the target of message-passing from nodes into multi-hop features inside each node. Specifically, it first pre-computed multi-hop features of nodes to reduce computation costs during training and inference. Then, it conducts a non-linear interaction among multi-hop features to enhance the discrimination of nodes. We design a simple yet effective HopGNN framework that can easily utilize existing GNNs to achieve hop interaction. Furthermore, we propose a multi-task learning strategy with a self-supervised learning objective to enhance HopGNN. We conduct extensive experiments on 12 benchmark datasets in a wide range of domains, scales, and smoothness of graphs. Experimental results show that our methods achieve superior performance while maintaining high scalability and efficiency.  ( 2 min )

Training supervised video captioning model requires coupled video-caption pairs. However, for many targeted languages, sufficient paired data are not available. To this end, we introduce the unpaired video captioning task aiming to train models without coupled video-caption pairs in target language. To solve the task, a natural choice is to employ a two-step pipeline system: first utilizing video-to-pivot captioning model to generate captions in pivot language and then utilizing pivot-to-target translation model to translate the pivot captions to the target language. However, in such a pipeline system, 1) visual information cannot reach the translation model, generating visual irrelevant target captions; 2) the errors in the generated pivot captions will be propagated to the translation model, resulting in disfluent target captions. To address these problems, we propose the Unpaired Video Captioning with Visual Injection system (UVC-VI). UVC-VI first introduces the Visual Injection Module (VIM), which aligns source visual and target language domains to inject the source visual information into the target language domain. Meanwhile, VIM directly connects the encoder of the video-to-pivot model and the decoder of the pivot-to-target model, allowing end-to-end inference by completely skipping the generation of pivot captions. To enhance the cross-modality injection of the VIM, UVC-VI further introduces a pluggable video encoder, i.e., Multimodal Collaborative Encoder (MCE). The experiments show that UVC-VI outperforms pipeline systems and exceeds several supervised systems. Furthermore, equipping existing supervised systems with our MCE can achieve 4% and 7% relative margins on the CIDEr scores to current state-of-the-art models on the benchmark MSVD and MSR-VTT datasets, respectively.  ( 3 min )

Online Food Ordering Service (OFOS) is a popular location-based service that helps people to order what you want. Compared with traditional e-commerce recommendation systems, users' interests may be diverse under different spatiotemporal contexts, leading to various spatiotemporal data distribution, which limits the fitting capacity of the model. However, numerous current works simply mix all samples to train a set of model parameters, which makes it difficult to capture the diversity in different spatiotemporal contexts. Therefore, we address this challenge by proposing a Bottom-up Adaptive Spatiotemporal Model(BASM) to adaptively fit the spatiotemporal data distribution, which further improve the fitting capability of the model. Specifically, a spatiotemporal-aware embedding layer performs weight adaptation on field granularity in feature embedding, to achieve the purpose of dynamically perceiving spatiotemporal contexts. Meanwhile, we propose a spatiotemporal semantic transformation layer to explicitly convert the concatenated input of the raw semantic to spatiotemporal semantic, which can further enhance the semantic representation under different spatiotemporal contexts. Furthermore, we introduce a novel spatiotemporal adaptive bias tower to capture diverse spatiotemporal bias, reducing the difficulty to model spatiotemporal distinction. To further verify the effectiveness of BASM, we also novelly propose two new metrics, Time-period-wise AUC (TAUC) and City-wise AUC (CAUC). Extensive offline evaluations on public and industrial datasets are conducted to demonstrate the effectiveness of our proposed modle. The online A/B experiment also further illustrates the practicability of the model online service. This proposed method has now been implemented on the Ele.me, a major online food ordering platform in China, serving more than 100 million online users.  ( 2 min )

A stylized feature of high-dimensional data is that many variables have heavy tails, and robust statistical inference is critical for valid large-scale statistical inference. Yet, the existing developments such as Winsorization, Huberization and median of means require the bounded second moments and involve variable-dependent tuning parameters, which hamper their fidelity in applications to large-scale problems. To liberate these constraints, this paper revisits the celebrated Hodges-Lehmann (HL) estimator for estimating location parameters in both the one- and two-sample problems, from a non-asymptotic perspective. Our study develops Berry-Esseen inequality and Cram\'{e}r type moderate deviation for the HL estimator based on newly developed non-asymptotic Bahadur representation, and builds data-driven confidence intervals via a weighted bootstrap approach. These results allow us to extend the HL estimator to large-scale studies and propose \emph{tuning-free} and \emph{moment-free} high-dimensional inference procedures for testing global null and for large-scale multiple testing with false discovery proportion control. It is convincingly shown that the resulting tuning-free and moment-free methods control false discovery proportion at a prescribed level. The simulation studies lend further support to our developed theory.  ( 2 min )